Penta-graphene: A new carbon allotrope

Zhang, Shunhong; Zhou, Jian; Wang, Qian; Chen, Xiaoshuang; Kawazoe, Yoshiyuki; Jena, Puru

doi:10.1073/pnas.1416591112

Title: Penta-graphene: A new carbon allotrope

Journal Article · Mon Feb 02 00:00:00 EST 2015 · Proceedings of the National Academy of Sciences of the United States of America

DOI:https://doi.org/10.1073/pnas.1416591112· OSTI ID:1349048

Zhang, Shunhong ^[1]; Zhou, Jian ^[2]; Wang, Qian ^[1]; Chen, Xiaoshuang ^[3]; Kawazoe, Yoshiyuki ^[4]; Jena, Puru ^[2]

Peking Univ., Beijing (China). College of Engineering. Center for Applied Physics and Technology; Ministry of Education, Beijing (China). Collaborative Innovation Center of Inertial Fusion Sciences and Applications; Virginia Commonwealth Univ., Richmond, VA (United States). Dept. of Physics
Virginia Commonwealth Univ., Richmond, VA (United States). Dept. of Physics
Chinese Academy of Sciences (CAS), Shanghai (China). Shanghai Inst. of Technical Physics. National Lab. for Infrared Physics; Univ. of Science and Technology of China, Hefei (China). Synergetic Innovation Center of Quantum Information and Quantum Physics
Tohoku Univ., Sendai (Japan). Inst. for Materials Research

A 2D metastable carbon allotrope, penta-graphene, composed entirely of carbon pentagons and resembling the Cairo pentagonal tiling, is proposed in this paper. State-of-the-art theoretical calculations confirm that the new carbon polymorph is not only dynamically and mechanically stable, but also can withstand temperatures as high as 1000 K. Due to its unique atomic configuration, penta-graphene has an unusual negative Poisson’s ratio and ultrahigh ideal strength that can even outperform graphene. Furthermore, unlike graphene that needs to be functionalized for opening a band gap, penta-graphene possesses an intrinsic quasi-direct band gap as large as 3.25 eV, close to that of ZnO and GaN. Equally important, penta-graphene can be exfoliated from T12-carbon. When rolled up, it can form pentagon-based nanotubes which are semiconducting, regardless of their chirality. When stacked in different patterns, stable 3D twin structures of T12-carbon are generated with band gaps even larger than that of T12-carbon. Finally, the versatility of penta-graphene and its derivatives are expected to have broad applications in nanoelectronics and nanomechanics.

View Accepted Manuscript (DOE)

Cite

Export

Save

Research Organization:: Virginia Commonwealth Univ., Richmond, VA (United States); Peking Univ., Beijing (China); Ministry of Education, Beijing (China)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); National Natural Science Foundation of China (NSFC); National Grand Fundamental Research 973 Program of China; Doctoral Program of Higher Education of China

Contributing Organization:: Chinese Academy of Sciences (CAS), Shanghai (China); Univ. of Science and Technology of China, Hefei (China); Tohoku Univ., Sendai (Japan)

Grant/Contract Number:: FG02-96ER45579; NSFC-51471004; NSFC-11174014; NSFC-10990104; NSFC-11334008; 2012CB921404; 20130001110033

OSTI ID:: 1349048

Journal Information:: Proceedings of the National Academy of Sciences of the United States of America, Vol. 112, Issue 8; ISSN 0027-8424

Publisher:: National Academy of Sciences, Washington, DC (United States)Copyright Statement

Country of Publication:: United States

Language:: English

Citation Metrics:

Cited by: 881 works

Citation information provided by
Web of Science

References (59)

Generalized Gradient Approximation Made Simple Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868 https://doi.org/10.1103/PhysRevLett.77.3865	journal	October 1996
Poisson's ratio and modern materials Greaves, G. N.; Greer, A. L.; Lakes, R. S. Nature Materials, Vol. 10, Issue 11 https://doi.org/10.1038/nmat3134	journal	October 2011
Electronic Structure of Carbon Nanocones Charlier, Jean-Christophe; Rignanese, Gian-Marco Physical Review Letters, Vol. 86, Issue 26 https://doi.org/10.1103/PhysRevLett.86.5970	journal	June 2001
Magnetic Frustration in an Iron-Based Cairo Pentagonal Lattice Ressouche, E.; Simonet, V.; Canals, B. Physical Review Letters, Vol. 103, Issue 26 https://doi.org/10.1103/PhysRevLett.103.267204	journal	December 2009
Hydrogen intercalation of single and multiple layer graphene synthesized on Si-terminated SiC(0001) surface Sołtys, Jakub; Piechota, Jacek; Ptasinska, Maria Journal of Applied Physics, Vol. 116, Issue 8 https://doi.org/10.1063/1.4893750	journal	August 2014
Projector augmented-wave method Blöchl, P. E. Physical Review B, Vol. 50, Issue 24, p. 17953-17979 https://doi.org/10.1103/PhysRevB.50.17953	journal	December 1994
Hybrid functionals based on a screened Coulomb potential Heyd, Jochen; Scuseria, Gustavo E.; Ernzerhof, Matthias The Journal of Chemical Physics, Vol. 118, Issue 18 https://doi.org/10.1063/1.1564060	journal	May 2003
Mechanical properties of graphene and boronitrene Andrew, R. C.; Mapasha, R. E.; Ukpong, A. M. Physical Review B, Vol. 85, Issue 12 https://doi.org/10.1103/PhysRevB.85.125428	journal	March 2012
C60: Buckminsterfullerene Kroto, H. W.; Heath, J. R.; O'Brien, S. C. Nature, Vol. 318, Issue 6042 https://doi.org/10.1038/318162a0	journal	November 1985
Pentaheptite Modifications of the Graphite Sheet Deza, M.; Fowler, P. W.; Shtogrin, M. Journal of Chemical Information and Computer Sciences, Vol. 40, Issue 6 https://doi.org/10.1021/ci000010j	journal	November 2000
${sp}^{3}$ -hybridized framework structure of group-14 elements discovered by genetic algorithm Nguyen, Manh Cuong; Zhao, Xin; Wang, Cai-Zhuang Physical Review B, Vol. 89, Issue 18 https://doi.org/10.1103/PhysRevB.89.184112	journal	May 2014
Erratum: “Hybrid functionals based on a screened Coulomb potential” [J. Chem. Phys. 118, 8207 (2003)] Heyd, Jochen; Scuseria, Gustavo E.; Ernzerhof, Matthias The Journal of Chemical Physics, Vol. 124, Issue 21 https://doi.org/10.1063/1.2204597	journal	June 2006
Exceptional Ideal Strength of Carbon Clathrates Blase, X.; Gillet, Philippe; San Miguel, A. Physical Review Letters, Vol. 92, Issue 21 https://doi.org/10.1103/PhysRevLett.92.215505	journal	May 2004
Single-shell carbon nanotubes of 1-nm diameter Iijima, Sumio; Ichihashi, Toshinari Nature, Vol. 363, Issue 6430 https://doi.org/10.1038/363603a0	journal	June 1993
Measurement of the Elastic Properties and Intrinsic Strength of Monolayer Graphene Lee, C.; Wei, X.; Kysar, J. W. Science, Vol. 321, Issue 5887, p. 385-388 https://doi.org/10.1126/science.1157996	journal	July 2008
Crystal Structure and Chemical Bonding of the High-Temperature Phase of AgN ₃ Schmidt, Carsten L.; Dinnebier, Robert; Wedig, Ulrich Inorganic Chemistry, Vol. 46, Issue 3 https://doi.org/10.1021/ic061963n	journal	February 2007
Graphdiyne and graphyne: from theoretical predictions to practical construction Li, Yongjun; Xu, Liang; Liu, Huibiao Chemical Society Reviews, Vol. 43, Issue 8 https://doi.org/10.1039/c3cs60388a	journal	January 2014
Quasi-Free-Standing Epitaxial Graphene on SiC Obtained by Hydrogen Intercalation Riedl, C.; Coletti, C.; Iwasaki, T. Physical Review Letters, Vol. 103, Issue 24 https://doi.org/10.1103/PhysRevLett.103.246804	journal	December 2009
First-Principles Prediction of Doped Graphane as a High-Temperature Electron-Phonon Superconductor Savini, G.; Ferrari, A. C.; Giustino, Feliciano Physical Review Letters, Vol. 105, Issue 3 https://doi.org/10.1103/PhysRevLett.105.037002	journal	July 2010
Gas-phase production and photoelectron spectroscopy of the smallest fullerene, C20 Prinzbach, Horst; Weiler, Andreas; Landenberger, Peter Nature, Vol. 407, Issue 6800 https://doi.org/10.1038/35024037	journal	September 2000
Two-Dimensional Nanocrystals Produced by Exfoliation of Ti₃AlC₂ Naguib, Michael; Kurtoglu, Murat; Presser, Volker Advanced Materials, Vol. 23, Issue 37, p. 4248-4253 https://doi.org/10.1002/adma.201102306	journal	August 2011
Electric Field Effect in Atomically Thin Carbon Films Novoselov, K. S. Science, Vol. 306, Issue 5696, p. 666-669 https://doi.org/10.1126/science.1102896	journal	October 2004
3,4-Connected carbon nets: through-space and through-bond interactions in the solid state Merz, Kenneth M.; Hoffmann, Roald; Balaban, Alexandru T. Journal of the American Chemical Society, Vol. 109, Issue 22 https://doi.org/10.1021/ja00256a031	journal	October 1987
Bonding Changes in Compressed Superhard Graphite Mao, W. L. Science, Vol. 302, Issue 5644 https://doi.org/10.1126/science.1089713	journal	October 2003
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Kresse, G.; Furthmüller, J. Physical Review B, Vol. 54, Issue 16, p. 11169-11186 https://doi.org/10.1103/PhysRevB.54.11169	journal	October 1996
A Hypothetical Dense 3,4-Connected Carbon Net and Related B2C and CN2 Nets Built from 1,4-Cyclohexadienoid Units Bucknum, Michael J.; Hoffmann, Roald Journal of the American Chemical Society, Vol. 116, Issue 25 https://doi.org/10.1021/ja00104a027	journal	December 1994
Failure Mechanisms of Graphene under Tension Marianetti, C. A.; Yevick, H. G. Physical Review Letters, Vol. 105, Issue 24 https://doi.org/10.1103/PhysRevLett.105.245502	journal	December 2010
Crystal Structure and Chemical Bonding of the High-Temperature Phase of AgN3. Schmidt, Carsten L.; Dinnebier, Robert; Wedig, Ulrich ChemInform, Vol. 38, Issue 17 https://doi.org/10.1002/chin.200717007	journal	April 2007
Density Functional Theory Study of the Silicene-like SiX and XSi ₃ (X = B, C, N, Al, P) Honeycomb Lattices: The Various Buckled Structures and Versatile Electronic Properties Ding, Yi; Wang, Yanli The Journal of Physical Chemistry C, Vol. 117, Issue 35 https://doi.org/10.1021/jp407666m	journal	August 2013
The physical and chemical properties of heteronanotubes Ayala, Paola; Arenal, Raul; Loiseau, Annick Reviews of Modern Physics, Vol. 82, Issue 2 https://doi.org/10.1103/RevModPhys.82.1843	journal	June 2010
New Metallic Allotropes of Planar and Tubular Carbon Terrones, H.; Terrones, M.; Hernández, E. Physical Review Letters, Vol. 84, Issue 8 https://doi.org/10.1103/PhysRevLett.84.1716	journal	February 2000
Two-Dimensional sp ² Carbon Network of Fused Pentagons: All Carbon Ferromagnetic Sheet Maruyama, Mina; Okada, Susumu Applied Physics Express, Vol. 6, Issue 9 https://doi.org/10.7567/APEX.6.095101	journal	September 2013
Tetragonal Allotrope of Group 14 Elements Zhao, Zhisheng; Tian, Fei; Dong, Xiao Journal of the American Chemical Society, Vol. 134, Issue 30 https://doi.org/10.1021/ja304380p	journal	July 2012
The Compressibility of Media under Extreme Pressures Murnaghan, F. D. Proceedings of the National Academy of Sciences, Vol. 30, Issue 9 https://doi.org/10.1073/pnas.30.9.244	journal	September 1944
Synthesis of Two-Dimensional Materials by Selective Extraction Naguib, Michael; Gogotsi, Yury Accounts of Chemical Research, Vol. 48, Issue 1 https://doi.org/10.1021/ar500346b	journal	December 2014
Template Effect in the Competition between Haeckelite and Graphene Growth on Ni(111): Quantum Chemical Molecular Dynamics Simulations Wang, Ying; Page, Alister J.; Nishimoto, Yoshio Journal of the American Chemical Society, Vol. 133, Issue 46 https://doi.org/10.1021/ja2064654	journal	November 2011
Negative poisson’s ratio in single-layer black phosphorus Jiang, Jin-Wu; Park, Harold S. Nature Communications, Vol. 5, Issue 1 https://doi.org/10.1038/ncomms5727	journal	August 2014
A unified formulation of the constant temperature molecular dynamics methods Nosé, Shuichi The Journal of Chemical Physics, Vol. 81, Issue 1 https://doi.org/10.1063/1.447334	journal	July 1984
Stable three-dimensional metallic carbon with interlocking hexagons Zhang, S.; Wang, Q.; Chen, X. Proceedings of the National Academy of Sciences, Vol. 110, Issue 47 https://doi.org/10.1073/pnas.1311028110	journal	November 2013
Electronic Strengthening of Graphene by Charge Doping Si, Chen; Duan, Wenhui; Liu, Zheng Physical Review Letters, Vol. 109, Issue 22 https://doi.org/10.1103/PhysRevLett.109.226802	journal	November 2012
Deriving Carbon Atomic Chains from Graphene Jin, Chuanhong; Lan, Haiping; Peng, Lianmao Physical Review Letters, Vol. 102, Issue 20 https://doi.org/10.1103/PhysRevLett.102.205501	journal	May 2009
Amorphization-induced surface electronic states modulation of cobaltous oxide nanosheets for lithium-sulfur batteries Li, Ruilong; Rao, Dewei; Zhou, Jianbin Nature Communications, Vol. 12, Issue 1 https://doi.org/10.1038/s41467-021-23349-9	journal	May 2021
Initiation of carbon nanotube growth by well-defined carbon nanorings Omachi, Haruka; Nakayama, Takuya; Takahashi, Eri Nature Chemistry, Vol. 5, Issue 7 https://doi.org/10.1038/nchem.1655	journal	May 2013
Special points for Brillouin-zone integrations Monkhorst, Hendrik J.; Pack, James D. Physical Review B, Vol. 13, Issue 12, p. 5188-5192 https://doi.org/10.1103/PhysRevB.13.5188	journal	June 1976
Families of Superhard Crystalline Carbon Allotropes Constructed via Cold Compression of Graphite and Nanotubes Niu, Haiyang; Chen, Xing-Qiu; Wang, Shibing Physical Review Letters, Vol. 108, Issue 13 https://doi.org/10.1103/PhysRevLett.108.135501	journal	March 2012
Self-assembled ultrathin nanotubes on diamond (100) surface Lu, Shaohua; Wang, Yanchao; Liu, Hanyu Nature Communications, Vol. 5, Issue 1 https://doi.org/10.1038/ncomms4666	journal	April 2014
Response: Negative Poisson's Ratio Materials Lakes, R. Science, Vol. 238, Issue 4826 https://doi.org/10.1126/science.238.4826.551-a	journal	October 1987
Electronic Structure of Carbon Nanocones Charlier, Jean-Christophe; Rignanese, Gian-Marco The American Physical Society https://doi.org/10.17877/de290r-495	text	January 2001
Competition for Graphene: Graphynes with Direction-Dependent Dirac Cones Malko, Daniel; Neiss, Christian; Viñes, Francesc Physical Review Letters, Vol. 108, Issue 8 https://doi.org/10.1103/PhysRevLett.108.086804	journal	February 2012
Overcoming lability of extremely long alkane carbon–carbon bonds through dispersion forces Schreiner, Peter R.; Chernish, Lesya V.; Gunchenko, Pavel A. Nature, Vol. 477, Issue 7364 https://doi.org/10.1038/nature10367	journal	September 2011
T-Carbon: A Novel Carbon Allotrope Sheng, Xian-Lei; Yan, Qing-Bo; Ye, Fei Physical Review Letters, Vol. 106, Issue 15 https://doi.org/10.1103/PhysRevLett.106.155703	journal	April 2011
Anomalous Thermal Stability of Metastable C[sub 20] Fullerene Davydov, I. V. Physics of the Solid State, Vol. 47, Issue 4 https://doi.org/10.1134/1.1913997	journal	January 2005
First-principles calculations of the ferroelastic transition between rutile-type and ${CaCl}_{2}$ -type ${SiO}_{2}$ at high pressures Togo, Atsushi; Oba, Fumiyasu; Tanaka, Isao Physical Review B, Vol. 78, Issue 13 https://doi.org/10.1103/PhysRevB.78.134106	journal	October 2008
The stabilization of fused-pentagon fullerene molecules Tan, Yuan-Zhi; Xie, Su-Yuan; Huang, Rong-Bin Nature Chemistry, Vol. 1, Issue 6 https://doi.org/10.1038/nchem.329	journal	August 2009
Electronic and transport properties of nanotubes Charlier, Jean-Christophe; Blase, Xavier; Roche, Stephan Reviews of Modern Physics, Vol. 79, Issue 2 https://doi.org/10.1103/RevModPhys.79.677	journal	May 2007
Ultrathin Carbon Nanotube With Single, Double, and Triple Bonds Menéndez-Proupin, E.; Montero-Alejo, Ana L.; García de la Vega, J. M. Physical Review Letters, Vol. 109, Issue 10 https://doi.org/10.1103/PhysRevLett.109.105501	journal	September 2012
Two dimensional Dirac carbon allotropes from graphene Xu, Li-Chun; Wang, Ru-Zhi; Miao, Mao-Sheng Nanoscale, Vol. 6, Issue 2 https://doi.org/10.1039/C3NR04463G	journal	January 2014
Negative Poisson's Ratio Materials Burns, Stephen Science, Vol. 238, Issue 4826 https://doi.org/10.1126/science.238.4826.551.a	journal	October 1987
Electric Field Effect in Atomically Thin Carbon Films Novoselov, K. S.; Geim, A. K.; Morozov, S. V. arXiv https://doi.org/10.48550/arxiv.cond-mat/0410550	text	January 2004

Cited By (141)

First Principles Study of Penta-siligraphene as High-Performance Anode Material for Li-Ion Batteries Wang, Hewen; Wu, Musheng; Tian, Zhengfang Nanoscale Research Letters, Vol. 14, Issue 1 https://doi.org/10.1186/s11671-019-3097-5	journal	July 2019
A two-dimensional CaSi monolayer with quasi-planar pentacoordinate silicon Wang, Yu; Qiao, Man; Li, Yafei Nanoscale Horizons, Vol. 3, Issue 3 https://doi.org/10.1039/c7nh00091j	journal	January 2018
PBCF‐Graphene: A 2D Sp ² Hybridized Honeycomb Carbon Allotrope with a Direct Band Gap Zhang, Wei; Chai, Changchun; Fan, Qingyang ChemNanoMat, Vol. 6, Issue 1 https://doi.org/10.1002/cnma.201900645	journal	October 2019
Palgraphyne: A Promising 2D Carbon Dirac Semimetal with Strong Mechanical and Electronic Anisotropy Zhao, Ding; Cui, Leyuan; Cai, Jiangtao physica status solidi (RRL) – Rapid Research Letters, Vol. 14, Issue 4 https://doi.org/10.1002/pssr.202070020	journal	April 2020
Remarkable enhancement in failure stress and strain of penta-graphene via chemical functionalization Zhang, Yingyan; Pei, Qingxiang; Sha, Zhendong Nano Research, Vol. 10, Issue 11 https://doi.org/10.1007/s12274-017-1600-9	journal	June 2017
Anisotropic ultrahigh hole mobility in two-dimensional penta-SiC ₂ by strain-engineering: electronic structure and chemical bonding analysis Xu, Yuanfeng; Ning, Zeyu; Zhang, Hao RSC Adv., Vol. 7, Issue 72 https://doi.org/10.1039/c7ra06903k	journal	January 2017
Effect of hydrogen coverage on the buckling of penta-graphene by molecular dynamics simulation Ebrahimi, Sadollah Molecular Simulation, Vol. 42, Issue 17 https://doi.org/10.1080/08927022.2016.1205191	journal	September 2016
Stabilization of two-dimensional penta-silicene for flexible lithium-ion battery anodes via surface chemistry reconfiguration Wu, Donghai; Wang, Shuaiwei; Zhang, Shouren Physical Chemistry Chemical Physics, Vol. 21, Issue 3 https://doi.org/10.1039/c8cp05008b	journal	January 2019
Atomically thin semiconducting penta-PdP ₂ and PdAs ₂ with ultrahigh carrier mobility Yuan, Hao; Li, Zhenyu; Yang, Jinlong Journal of Materials Chemistry C, Vol. 6, Issue 34 https://doi.org/10.1039/c8tc03368d	journal	January 2018
Two-dimensional transitional metal dihydride crystals with anisotropic and spin-polarized Fermi Dirac cones Lv, Haifeng; Wu, Daoxiong; Li, Xiuling Journal of Materials Chemistry C, Vol. 6, Issue 42 https://doi.org/10.1039/c8tc03489c	journal	January 2018
Negative Poisson's ratio in puckered two-dimensional materials Liu, Bei; Niu, Mengqi; Fu, Jia Physical Review Materials, Vol. 3, Issue 5 https://doi.org/10.1103/physrevmaterials.3.054002	journal	May 2019
Nb2SiTe4 and Nb2GeTe4: Unexplored 2D Ternary Layered Tellurides with High Stability, Narrow Band Gap and High Electron Mobility Fang, Wen-Yu; Li, Ping-An; Yuan, Jun-Hui Journal of Electronic Materials, Vol. 49, Issue 2 https://doi.org/10.1007/s11664-019-07685-7	journal	October 2019
Disparate strain response of the thermal transport properties of bilayer penta-graphene as compared to that of monolayer penta-graphene Sun, Zhehao; Yuan, Kunpeng; Zhang, Xiaoliang Physical Chemistry Chemical Physics, Vol. 21, Issue 28 https://doi.org/10.1039/c9cp02574j	journal	January 2019
Applications of aesthetic pentagon-shaped stereo tiling employing pentagraphene carbon—star walls and embossment design Hagita, Katsumi; Kawazoe, Yoshiyuki; Ogino, Masao AIP Advances, Vol. 9, Issue 3 https://doi.org/10.1063/1.5085641	journal	March 2019
Flexible, auxetic and strain-tunable two dimensional penta-X ₂ C family as water splitting photocatalysts with high carrier mobility Sun, Songsong; Meng, Fanchen; Xu, Yuanfeng Journal of Materials Chemistry A, Vol. 7, Issue 13 https://doi.org/10.1039/c8ta12405a	journal	January 2019
Stable Si-based pentagonal monolayers: high carrier mobilities and applications in photocatalytic water splitting Li, Xinru; Dai, Ying; Li, Mengmeng Journal of Materials Chemistry A, Vol. 3, Issue 47 https://doi.org/10.1039/c5ta05770a	journal	January 2015
Negative Poisson's ratio and high-mobility transport anisotropy in SiC ₆ siligraphene Liu, Xiaobiao; Shao, Xiaofei; Yang, Bo Nanoscale, Vol. 10, Issue 4 https://doi.org/10.1039/c7nr06932d	journal	January 2018
Dispersive and covalent interactions in all-carbon heterostructures consisting of penta-graphene and fullerene: topological effect Chen, Qing; Cheng, Meng-Qi; Yang, Ke Journal of Physics D: Applied Physics, Vol. 51, Issue 30 https://doi.org/10.1088/1361-6463/aaccd6	journal	July 2018
TiC ₂ : a new two-dimensional sheet beyond MXenes Zhao, Tianshan; Zhang, Shunhong; Guo, Yaguang Nanoscale, Vol. 8, Issue 1 https://doi.org/10.1039/c5nr04472c	journal	January 2016
From graphene to fullerene: experiments with microwave photonic crystals Dietz, B.; Richter, A. Physica Scripta, Vol. 94, Issue 1 https://doi.org/10.1088/1402-4896/aaec96	journal	November 2018
Electronic properties of tetragraphene nanoribbons de Vasconcelos, Fabrício Morais; Souza Filho, Antônio Gomes; Meunier, Vincent Physical Review Materials, Vol. 3, Issue 6 https://doi.org/10.1103/physrevmaterials.3.066002	journal	June 2019
Predicting experimentally stable allotropes: Instability of penta-graphene Ewels, Christopher P.; Rocquefelte, Xavier; Kroto, Harold W. Proceedings of the National Academy of Sciences https://doi.org/10.1073/pnas.1520402112	journal	December 2015
Novel two-dimensional semiconductor SnP ₃ : high stability, tunable bandgaps and high carrier mobility explored using first-principles calculations Sun, Songsong; Meng, Fanchen; Wang, Hongyan Journal of Materials Chemistry A, Vol. 6, Issue 25 https://doi.org/10.1039/c8ta02494d	journal	January 2018
Prediction of a room-temperature eight-coordinate two-dimensional topological insulator: penta-RuS4 monolayer Yuan, Shijun; Zhou, Qionghua; Wu, Qisheng npj 2D Materials and Applications, Vol. 1, Issue 1 https://doi.org/10.1038/s41699-017-0032-4	journal	September 2017
Electronic structure and photocatalytic band offset of few-layer GeP ₂ Shojaei, Fazel; Hahn, Jae Ryang; Kang, Hong Seok J. Mater. Chem. A, Vol. 5, Issue 42 https://doi.org/10.1039/c7ta07107h	journal	January 2017
Mechanical anisotropy of two-dimensional metamaterials: a computational study Liu, Ning; Becton, Mathew; Zhang, Liuyang Nanoscale Advances, Vol. 1, Issue 8 https://doi.org/10.1039/c9na00312f	journal	January 2019
Penta-MX ₂ (M = Ni, Pd and Pt; X = P and As) monolayers: direct band-gap semiconductors with high carrier mobility Qian, Shifeng; Sheng, Xiaowei; Xu, Xian Journal of Materials Chemistry C, Vol. 7, Issue 12 https://doi.org/10.1039/c8tc06030d	journal	January 2019
Functionalized graphene materials for hydrogen storage Jain, Vatsal; Kandasubramanian, Balasubramanian Journal of Materials Science, Vol. 55, Issue 5 https://doi.org/10.1007/s10853-019-04150-y	journal	November 2019
Perfect planar tetra-coordinated MC ₆ monolayer: superior anode material for Li-ion battery Lu, Shaohua; Yang, Chuncheng; Fan, Dong Physical Chemistry Chemical Physics, Vol. 21, Issue 27 https://doi.org/10.1039/c9cp01825e	journal	January 2019
Hydrogen-induced stabilization and tunable electronic structures of penta-silicene: a computational study Ding, Yi; Wang, Yanli Journal of Materials Chemistry C, Vol. 3, Issue 43 https://doi.org/10.1039/c5tc02504d	journal	January 2015
Penta-Pt ₂ N ₄ : an ideal two-dimensional material for nanoelectronics Liu, Zhao; Wang, Haidi; Sun, Jiuyu Nanoscale, Vol. 10, Issue 34 https://doi.org/10.1039/c8nr05561k	journal	January 2018
Boron‐ and nitrogen‐doped penta‐graphene as a promising material for hydrogen storage: A computational study Sathishkumar, Nadaraj; Wu, Shiuan‐Yau; Chen, Hsin‐Tsung International Journal of Energy Research, Vol. 43, Issue 9 https://doi.org/10.1002/er.4639	journal	May 2019
A New Metallic Porous Carbon Phase tP-C12 with an sp ² -sp ³ Bonding Network: A First-Principle Calculation Xu, Yanheng; Hu, Menglei; Wang, Ziao ChemistrySelect, Vol. 3, Issue 28 https://doi.org/10.1002/slct.201801359	journal	July 2018
Charge-induced electromechanical actuation of two-dimensional hexagonal and pentagonal materials Thanh, Vuong Van; Truong, Do Van; Tuan Hung, Nguyen Physical Chemistry Chemical Physics, Vol. 21, Issue 40 https://doi.org/10.1039/c9cp03129d	journal	January 2019
Thermal transport of carbon nanomaterials Chen, Xue-Kun; Chen, Ke-Qiu Journal of Physics: Condensed Matter, Vol. 32, Issue 15 https://doi.org/10.1088/1361-648x/ab5e57	journal	January 2020
Piezoelectric and polarized enhancement by hydrofluorination of penta-graphene Jia, Hao-Jun; Mu, Hui-Min; Li, Jin-Peng Physical Chemistry Chemical Physics, Vol. 20, Issue 41 https://doi.org/10.1039/c8cp04010a	journal	January 2018
Semi-metallic Be5C2 monolayer global minimum with quasi-planar pentacoordinate carbons and negative Poisson’s ratio Wang, Yu; Li, Feng; Li, Yafei Nature Communications, Vol. 7, Issue 1 https://doi.org/10.1038/ncomms11488	journal	May 2016
Tuning the electronic and mechanical properties of penta-graphene via hydrogenation and fluorination Li, Xiaoyin; Zhang, Shunhong; Wang, Fancy Qian Physical Chemistry Chemical Physics, Vol. 18, Issue 21 https://doi.org/10.1039/c6cp01092j	journal	January 2016
Mechanical properties of monolayer penta-graphene and phagraphene: a first-principles study Sun, Hao; Mukherjee, Sankha; Singh, Chandra Veer Physical Chemistry Chemical Physics, Vol. 18, Issue 38 https://doi.org/10.1039/c6cp04595b	journal	January 2016
Two-dimensional Janus PtSSe for photocatalytic water splitting under the visible or infrared light Peng, Rui; Ma, Yandong; Huang, Baibiao Journal of Materials Chemistry A, Vol. 7, Issue 2 https://doi.org/10.1039/c8ta09177c	journal	January 2019
Superconducting Single-Layer T-Graphene and Novel Synthesis Routes Gu, Qinyan; Xing, Dingyu; Sun, Jian Chinese Physics Letters, Vol. 36, Issue 9 https://doi.org/10.1088/0256-307x/36/9/097401	journal	August 2019
Engineering the magnetic properties of PtSe ₂ monolayer through transition metal doping Kar, Moumita; Sarkar, Ritabrata; Pal, Sougata Journal of Physics: Condensed Matter, Vol. 31, Issue 14 https://doi.org/10.1088/1361-648x/aaff40	journal	February 2019
Carbon Allotropes as Anode Material for Lithium‐Ion Batteries Rajkamal, A.; Thapa, Ranjit Advanced Materials Technologies, Vol. 4, Issue 10 https://doi.org/10.1002/admt.201900307	journal	August 2019
Electronic structure of octagonal boron nitride nanotubes Takahashi, Lauren; Nakagawa, Tessui; Takahashi, Keisuke International Journal of Quantum Chemistry, Vol. 118, Issue 11 https://doi.org/10.1002/qua.25542	journal	November 2017
Studying the electronic and phononic structure of penta-graphane Einollahzadeh, Hamideh; Fazeli, Seyed Mahdi; Dariani, Reza Sabet Taylor & Francis https://doi.org/10.6084/m9.figshare.3995313.v1	text	January 2016
Anisotropic-Cyclicgraphene: A New Two-Dimensional Semiconducting Carbon Allotrope Maździarz, Marcin; Mrozek, Adam; Kuś, Wacław Materials, Vol. 11, Issue 3 https://doi.org/10.3390/ma11030432	journal	March 2018
Three-dimensional auxetic properties in group V–VI binary monolayer crystals X ₃ M ₂ (X = S, Se; M = N, P, As) Chen, Yan; Liao, Xiangbiao; Shi, Xiaoyang Physical Chemistry Chemical Physics, Vol. 21, Issue 11 https://doi.org/10.1039/c8cp05260c	journal	January 2019
Thermal conductivity of penta-graphene from molecular dynamics study Xu, Wen; Zhang, Gang; Li, Baowen The Journal of Chemical Physics, Vol. 143, Issue 15 https://doi.org/10.1063/1.4933311	journal	October 2015
Hydrogen Desorption from Pentagraphane Openov, L. A.; Podlivaev, A. I. Semiconductors, Vol. 53, Issue 5 https://doi.org/10.1134/s106378261905021x	journal	May 2019
Penta-Graphene as a Potential Gas Sensor for NOx Detection Cheng, Meng-Qi; Chen, Qing; Yang, Ke Nanoscale Research Letters, Vol. 14, Issue 1 https://doi.org/10.1186/s11671-019-3142-4	journal	September 2019
Role of Dimensionality for Photocatalytic Water Splitting: CdS Nanotube versus Bulk Structure Garg, Priyanka; Bhauriyal, Preeti; Mahata, Arup ChemPhysChem, Vol. 20, Issue 3 https://doi.org/10.1002/cphc.201801051	journal	January 2019
2D planar penta-MN ₂ (M = Pd, Pt) sheets identified through structure search Zhao, Kexian; Li, Xiaoyin; Wang, Shuo Physical Chemistry Chemical Physics, Vol. 21, Issue 1 https://doi.org/10.1039/c8cp04851g	journal	January 2019
Enumeration of Pentahexagonal Annuli in the Plane Dobrynin, Andrey A.; Rosenfeld, Vladimir R. Mathematics, Vol. 7, Issue 12 https://doi.org/10.3390/math7121156	journal	December 2019
TE-C36 carbon: a new semiconducting phase with an all-sp ³ bonding network Xu, Yanheng; Lu, Yihua; Zhu, Xi RSC Advances, Vol. 8, Issue 4 https://doi.org/10.1039/c7ra11448f	journal	January 2018
Single Pt atom supported on penta-graphene as an efficient catalyst for CO oxidation Krishnan, Ranganathan; Wu, Shiuan-Yau; Chen, Hsin-Tsung Physical Chemistry Chemical Physics, Vol. 21, Issue 23 https://doi.org/10.1039/c9cp02306b	journal	January 2019
Evolution of Graphene Oxide and Graphene: From Imagination to Industrialization Tiwari, Santosh K.; Mishra, Raghvendra Kumar; Ha, Sung Kyu ChemNanoMat, Vol. 4, Issue 7 https://doi.org/10.1002/cnma.201800089	journal	May 2018
Nonlinear post-buckling and vibration of 2D penta-graphene composite plates Duc, Nguyen Dinh; Lam, Pham Tien; Quan, Tran Quoc Acta Mechanica, Vol. 231, Issue 2 https://doi.org/10.1007/s00707-019-02546-0	journal	November 2019
A Chiral 3 D Net with 2 D Cairo Pentagonal Tiling Projection in Site-Modified CuCN/CuSCN Networks Lin, Shi-Hong; Li, Mian; Luo, Dong ChemPlusChem, Vol. 81, Issue 8 https://doi.org/10.1002/cplu.201600177	journal	May 2016
Electronic and mechanical properties of few-layer borophene Zhong, Hongxia; Huang, Kaixiang; Yu, Guodong Physical Review B, Vol. 98, Issue 5 https://doi.org/10.1103/physrevb.98.054104	journal	August 2018
Emerging Applications of Elemental 2D Materials Glavin, Nicholas R.; Rao, Rahul; Varshney, Vikas Advanced Materials, Vol. 32, Issue 7 https://doi.org/10.1002/adma.201904302	journal	October 2019
Theoretical studies on the BC ₂ N monolayers with promising photoelectronic characteristics and remarkable environmental stabilities Xu, Chengcheng; Huang, Xinyue; Xu, Xin International Journal of Quantum Chemistry, Vol. 120, Issue 6 https://doi.org/10.1002/qua.26120	journal	November 2019
Popgraphene: a new 2D planar carbon allotrope composed of 5–8–5 carbon rings for high-performance lithium-ion battery anodes from bottom-up programming Wang, Shuaiwei; Yang, Baocheng; Chen, Houyang Journal of Materials Chemistry A, Vol. 6, Issue 16 https://doi.org/10.1039/c8ta00438b	journal	January 2018
Bubble-wrap carbon: an integration of graphene and fullerenes Liu, Wei; Liu, Jing-yao; Xia, Jing Nanoscale, Vol. 10, Issue 24 https://doi.org/10.1039/c8nr00126j	journal	January 2018
Predicting two-dimensional pentagonal transition metal monophosphides for efficient electrocatalytic nitrogen reduction Ying, Yiran; Fan, Ke; Luo, Xin Journal of Materials Chemistry A, Vol. 7, Issue 18 https://doi.org/10.1039/c8ta11605a	journal	January 2019
Tunable auxetic properties in group-IV monochalcogenide monolayers Kong, Xian; Deng, Junkai; Li, Lou Physical Review B, Vol. 98, Issue 18 https://doi.org/10.1103/physrevb.98.184104	journal	November 2018
Two-dimensional materials with intrinsic auxeticity: progress and perspectives Peng, Rui; Ma, Yandong; Wu, Qian Nanoscale, Vol. 11, Issue 24 https://doi.org/10.1039/c9nr03546j	journal	January 2019
Graphene Grown from Flat and Bowl Shaped Polycyclic Aromatic Hydrocarbons on Cu(111) Li, Jingyi; Lampart, Samuel; Siegel, Jay S. ChemPhysChem, Vol. 20, Issue 18 https://doi.org/10.1002/cphc.201900291	journal	June 2019
Design and Prediction of a Novel Two-Dimensional Carbon Nanostructure with In-Plane Negative Poisson’s Ratio Yuan, Kun; Li, Meng-Yang; Liu, Yan-Zhi Journal of Nanomaterials, Vol. 2019 https://doi.org/10.1155/2019/8618159	journal	February 2019
Penta-PdX ₂ (X = S, Se, Te) monolayers: promising anisotropic thermoelectric materials Lan, Yang-Shun; Chen, Xiang-Rong; Hu, Cui-E Journal of Materials Chemistry A, Vol. 7, Issue 18 https://doi.org/10.1039/c9ta02138h	journal	January 2019
Penta-P2X (X=C, Si) monolayers as wide-bandgap semiconductors: A first principles prediction Naseri, Mosayeb; Lin, Shiru; Jalilian, Jaafar Frontiers of Physics, Vol. 13, Issue 3 https://doi.org/10.1007/s11467-018-0758-2	journal	March 2018
Negative Poisson’s ratio in 1T-type crystalline two-dimensional transition metal dichalcogenides Yu, Liping; Yan, Qimin; Ruzsinszky, Adrienn Nature Communications, Vol. 8, Issue 1 https://doi.org/10.1038/ncomms15224	journal	May 2017
Construction of bilayer PdSe2 on epitaxial graphene Li, En; Wang, Dongfei; Fan, Peng Nano Research, Vol. 11, Issue 11 https://doi.org/10.1007/s12274-018-2090-0	journal	May 2018
Tight-binding model for opto-electronic properties of penta-graphene nanostructures Bravo, Sergio; Correa, Julián; Chico, Leonor Scientific Reports, Vol. 8, Issue 1 https://doi.org/10.1038/s41598-018-29288-8	journal	July 2018
Two-dimensional carbon dioxide with high stability, a negative Poisson's ratio and a huge band gap Liu, Shijie; Du, Hui; Li, Guoling Physical Chemistry Chemical Physics, Vol. 20, Issue 31 https://doi.org/10.1039/c8cp02742k	journal	January 2018
Theoretical investigations of a new two-dimensional semiconducting boron–carbon–nitrogen structure Lu, Yihua; Zhu, Xi; Wang, Min RSC Advances, Vol. 10, Issue 6 https://doi.org/10.1039/c9ra09723f	journal	January 2020
Predictive modeling of intrinsic strengths for several groups of chemically related monolayers by a reference model Hess, Peter Physical Chemistry Chemical Physics, Vol. 20, Issue 11 https://doi.org/10.1039/c7cp06621j	journal	January 2018
Mechanical behaviours of penta-graphene and effects of hydrogenation Han, Tongwei; Cao, Shumin; Wang, Xueyi Materials Research Express, Vol. 6, Issue 8 https://doi.org/10.1088/2053-1591/ab1dae	journal	May 2019
Flexible structural and electronic properties of a pentagonal B ₂ C monolayer via external strain: a computational investigation Li, Fengyu; Tu, Kaixiong; Zhang, Haijun Physical Chemistry Chemical Physics, Vol. 17, Issue 37 https://doi.org/10.1039/c5cp03885e	journal	January 2015
The mechanical, electronic and optical properties of two-dimensional transition metal chalcogenides MX ₂ and M ₂ X ₃ (M = Ni, Pd; X = S, Se, Te) with hexagonal and orthorhombic structures Xiong, Wenqi; Huang, Kaixiang; Yuan, Shengjun Journal of Materials Chemistry C, Vol. 7, Issue 43 https://doi.org/10.1039/c9tc04933a	journal	January 2019
Electronic structure and magnetic properties of penta-graphene nanoribbons Yuan, P. F.; Zhang, Z. H.; Fan, Z. Q. Physical Chemistry Chemical Physics, Vol. 19, Issue 14 https://doi.org/10.1039/c7cp00029d	journal	January 2017
Highly negative Poisson's ratio in a flexible two-dimensional tungsten carbide monolayer Wu, Donghai; Wang, Shuaiwei; Zhang, Shouren Physical Chemistry Chemical Physics, Vol. 20, Issue 28 https://doi.org/10.1039/c8cp01353e	journal	January 2018
Nanoscale fracture of defective popgraphene monolayers Meng, Fanchao; Ni, Ming; Chen, Feng Physical Chemistry Chemical Physics, Vol. 21, Issue 3 https://doi.org/10.1039/c8cp06577b	journal	January 2019
The effect of oxidation on the electronic properties of penta-graphene: first-principles calculation Li, Lin; Jin, Kaixuan; Du, Chunyan RSC Advances, Vol. 9, Issue 15 https://doi.org/10.1039/c9ra00275h	journal	January 2019
Synthesis of borophenes: Anisotropic, two-dimensional boron polymorphs Mannix, A. J.; Zhou, X. -F.; Kiraly, B. Science, Vol. 350, Issue 6267 https://doi.org/10.1126/science.aad1080	journal	December 2015
Stability, elastic and electronic properties of a novel BN ₂ sheet with extended hexagons with N–N bonds Waters, Kevin; Pandey, Ravindra Journal of Physics: Condensed Matter, Vol. 30, Issue 13 https://doi.org/10.1088/1361-648x/aaad96	journal	March 2018
Optical and electrical properties of two-dimensional palladium diselenide Zhang, George; Amani, Matin; Chaturvedi, Apoorva Applied Physics Letters, Vol. 114, Issue 25 https://doi.org/10.1063/1.5097825	journal	June 2019
Sign-tunable Poisson's ratio in semi-fluorinated graphene Qin, Rui; Zheng, Jiaxin; Zhu, Wenjun Nanoscale, Vol. 9, Issue 1 https://doi.org/10.1039/c6nr04519g	journal	January 2017
Room temperature quantum spin Hall states in two-dimensional crystals composed of pentagonal rings and their quantum wells Ma, Yandong; Kou, Liangzhi; Li, Xiao NPG Asia Materials, Vol. 8, Issue 4 https://doi.org/10.1038/am.2016.51	journal	April 2016
A first-principles study of stable few-layer penta-silicene Aierken, Yierpan; Leenaerts, Ortwin; Peeters, François M. Physical Chemistry Chemical Physics, Vol. 18, Issue 27 https://doi.org/10.1039/c6cp03200a	journal	January 2016
Dirac cones in a snub trihexagonal tiling lattice with reflective symmetry breaking Yang, Bo; Zhang, Xiaoming; Wang, Aizhu Journal of Physics: Condensed Matter, Vol. 31, Issue 15 https://doi.org/10.1088/1361-648x/ab018f	journal	February 2019
Electronic and transport properties and physical field coupling effects for net-Y nanoribbons Hu, J. K.; Zhang, Z. H.; Fan, Z. Q. Nanotechnology, Vol. 30, Issue 48 https://doi.org/10.1088/1361-6528/ab3c8d	journal	September 2019
Penta-BxNy sheet: a density functional theory study of two-dimensional material Li, Jiao; Fan, Xinyu; Wei, Yanpei Scientific Reports, Vol. 6, Issue 1 https://doi.org/10.1038/srep31840	journal	August 2016
Room-temperature half-metallicity in monolayer honeycomb structures of group-V binary compounds with carrier doping Nie, Yaozhuang; Rahman, Mavlanjan; Liu, Pei Physical Review B, Vol. 96, Issue 7 https://doi.org/10.1103/physrevb.96.075401	journal	August 2017
Theoretical Prediction of an Antimony-Silicon Monolayer $$(\hbox {penta-Sb}_{2}\hbox {Si})$$(penta-Sb2Si): Band Gap Engineering by Strain Effect Morshedi, Hosein; Naseri, Mosayeb; Hantehzadeh, Mohammad Reza Journal of Electronic Materials, Vol. 47, Issue 4 https://doi.org/10.1007/s11664-017-6045-0	journal	January 2018
Nano-makisu: highly anisotropic two-dimensional carbon allotropes made by weaving together nanotubes Zhao, Lei; Liu, Wei; Yi, WenCai Nanoscale, Vol. 12, Issue 1 https://doi.org/10.1039/c9nr08069d	journal	January 2020
OPGs: promising anode materials with high specific capacity and rate capability for Li/Na ion batteries Gao, Pengfei; Zhang, Yang; Chen, Xi Nanoscale, Vol. 10, Issue 37 https://doi.org/10.1039/c8nr04631j	journal	January 2018
Ultrahigh thermal conductivity of carbon allotropes with correlations with the scaled Pugh ratio Wang, Fancy Qian; Hu, Ming; Wang, Qian Journal of Materials Chemistry A, Vol. 7, Issue 11 https://doi.org/10.1039/c8ta12236a	journal	January 2019
Catalytic CO oxidation on B-doped and BN co-doped penta-graphene: a computational study Krishnan, Ranganathan; Wu, Shiuan-Yau; Chen, Hsin-Tsung Physical Chemistry Chemical Physics, Vol. 20, Issue 41 https://doi.org/10.1039/c8cp04745f	journal	January 2018
Studying the electronic and phononic structure of penta-graphane Einollahzadeh, Hamideh; Fazeli, Seyed Mahdi; Dariani, Reza Sabet Taylor & Francis https://doi.org/10.6084/m9.figshare.3995313	text	January 2016
Modulation of the electronic and mechanical properties of phagraphene via hydrogenation and fluorination Wu, Donghai; Wang, Shuaiwei; Yuan, Jinyun Physical Chemistry Chemical Physics, Vol. 19, Issue 19 https://doi.org/10.1039/c6cp08621g	journal	January 2017
Study on the normalized Laplacian of a penta‐graphene with applications Li, Qishun; Zaman, Shahid; Sun, Wanting International Journal of Quantum Chemistry, Vol. 120, Issue 9 https://doi.org/10.1002/qua.26154	journal	January 2020
Anisotropic thermal conductivity and mechanical properties of phagraphene: a molecular dynamics study Pereira, Luiz Felipe C.; Mortazavi, Bohayra; Makaremi, Meysam RSC Advances, Vol. 6, Issue 63 https://doi.org/10.1039/c6ra05082d	journal	January 2016
Ultrahigh Sensitivity and Selectivity of Pentagonal SiC ₂ Monolayer Gas Sensors: The Synergistic Effect of Composition and Structural Topology Tang, Lin; Cheng, Meng-Qi; Chen, Qing physica status solidi (b), Vol. 257, Issue 3 https://doi.org/10.1002/pssb.201900445	journal	September 2019
Atomically thin gallium layers from solid-melt exfoliation Kochat, Vidya; Samanta, Atanu; Zhang, Yuan Science Advances, Vol. 4, Issue 3 https://doi.org/10.1126/sciadv.1701373	journal	March 2018
Half-metallicity in two-dimensional Co ₂ Se ₃ monolayer with superior mechanical flexibility Lv, Peng; Tang, Gang; Yang, Chao 2D Materials, Vol. 5, Issue 4 https://doi.org/10.1088/2053-1583/aadb5a	journal	September 2018
Ultra-low lattice thermal conductivity of monolayer penta-silicene and penta-germanene Gao, Zhibin; Zhang, Zhaofu; Liu, Gang Physical Chemistry Chemical Physics, Vol. 21, Issue 47 https://doi.org/10.1039/c9cp05246a	journal	January 2019
Pentagonal monolayer crystals of carbon, boron nitride, and silver azide Yagmurcukardes, M.; Sahin, H.; Kang, J. Journal of Applied Physics, Vol. 118, Issue 10 https://doi.org/10.1063/1.4930086	journal	September 2015
KTlO: a metal shrouded 2D semiconductor with high carrier mobility and tunable magnetism Song, Ya-Qian; Yuan, Jun-Hui; Li, Li-Heng Nanoscale, Vol. 11, Issue 3 https://doi.org/10.1039/c8nr08046a	journal	January 2019
Monolayer ${Mg}_{2} C$ : Negative Poisson's ratio and unconventional two-dimensional emergent fermions Wang, Shan-Shan; Liu, Ying; Yu, Zhi-Ming Physical Review Materials, Vol. 2, Issue 10 https://doi.org/10.1103/physrevmaterials.2.104003	journal	October 2018
Disordering in Stone—Wales Graphene at High Temperatures Openov, L. A.; Podlivaev, A. I. JETP Letters, Vol. 109, Issue 11 https://doi.org/10.1134/s0021364019110110	journal	June 2019
Density functional theory prediction of Mg ₃ N ₂ as a high-performance anode material for Li-ion batteries Xiong, Lixin; Hu, Junping; Yu, Sicheng Physical Chemistry Chemical Physics, Vol. 21, Issue 13 https://doi.org/10.1039/c8cp07398h	journal	January 2019
First-principles investigation of adsorption behaviors of small molecules on penta-graphene Qin, Hongbo; Feng, Chuang; Luan, Xinghe Nanoscale Research Letters, Vol. 13, Issue 1 https://doi.org/10.1186/s11671-018-2687-y	journal	September 2018
Azugraphene: a new graphene-like hexagonal carbon allotrope with Dirac cones Liu, Jing; Lu, Haigang RSC Advances, Vol. 9, Issue 59 https://doi.org/10.1039/c9ra07953j	journal	January 2019
Two-dimensional Penta-BP5 Sheets: High-stability, Strain-tunable Electronic Structure and Excellent Mechanical Properties Liu, Shijie; Liu, Bo; Shi, Xuhan Scientific Reports, Vol. 7, Issue 1 https://doi.org/10.1038/s41598-017-02011-9	journal	May 2017
Auxetic nanomaterials: Recent progress and future development Jiang, Jin-Wu; Kim, Sung Youb; Park, Harold S. Applied Physics Reviews, Vol. 3, Issue 4 https://doi.org/10.1063/1.4964479	journal	December 2016
Two-dimensional penta-Sn ₃ H ₂ monolayer for nanoelectronics and photocatalytic water splitting: a first-principles study Zhang, Peng; Yang, Xibin; Wu, Wei RSC Advances, Vol. 8, Issue 21 https://doi.org/10.1039/c8ra00320c	journal	January 2018
Planar penta-transition metal phosphide and arsenide as narrow-gap semiconductors with ultrahigh carrier mobility Yuan, Jun-Hui; Zhang, Biao; Song, Ya-Qian Journal of Materials Science, Vol. 54, Issue 9 https://doi.org/10.1007/s10853-019-03380-4	journal	January 2019
Novel two-dimensional tetragonal vanadium carbides and nitrides as promising materials for Li-ion batteries Wu, Yi-Yuan; Bo, Tao; Zhang, Junrong Physical Chemistry Chemical Physics, Vol. 21, Issue 35 https://doi.org/10.1039/c9cp03954f	journal	January 2019
Exploring new two-dimensional monolayers: pentagonal transition metal borides/carbides (penta-TMB/Cs) Shao, Yangfan; Shao, Mengmeng; Kawazoe, Yoshiyuki Journal of Materials Chemistry A, Vol. 6, Issue 22 https://doi.org/10.1039/c8ta00635k	journal	January 2018
Hydrogenated PtP ₂ monolayer: theoretical predictions on the structure and charge carrier mobility Pu, Chunying; Yu, Jiahui; Yu, Rongmei Journal of Materials Chemistry C, Vol. 7, Issue 39 https://doi.org/10.1039/c9tc03479j	journal	January 2019
Tight-binding approach to penta-graphene Stauber, T.; Beltrán, J. I.; Schliemann, J. Scientific Reports, Vol. 6, Issue 1 https://doi.org/10.1038/srep22672	journal	March 2016
Tight-binding approach to penta-graphene Schliemann, John; Beltrán, J. I.; Stauber, Tobias Universität Regensburg https://doi.org/10.5283/epub.33541	text	January 2016
A two-dimensional tetragonal yttrium nitride monolayer: a ferroelastic semiconductor with switchable anisotropic properties Xu, Bo; Xiang, Hui; Yin, Jiang Nanoscale, Vol. 10, Issue 1 https://doi.org/10.1039/c7nr05679f	journal	January 2018
A C ₂₀ fullerene-based sheet with ultrahigh thermal conductivity Shen, Yupeng; Wang, Fancy Qian; Liu, Jie Nanoscale, Vol. 10, Issue 13 https://doi.org/10.1039/c8nr00110c	journal	January 2018
DHQ-graphene: a novel two-dimensional defective graphene for corrosion-resistant coating Wang, Xiao; Chen, Li; Yuan, Zhentao Journal of Materials Chemistry A, Vol. 7, Issue 15 https://doi.org/10.1039/c9ta00390h	journal	January 2019
A comparative density functional study on electrical properties of layered penta-graphene Yu, Zhi Gen; Zhang, Yong-Wei Journal of Applied Physics, Vol. 118, Issue 16 https://doi.org/10.1063/1.4934855	journal	October 2015
Unveiling the pentagonal nature of perfectly aligned single-and double-strand Si nano-ribbons on Ag(110) Cerdá, Jorge I.; Sławińska, Jagoda; Le Lay, Guy Nature Communications, Vol. 7, Issue 1 https://doi.org/10.1038/ncomms13076	journal	October 2016
2D carbon sheets with negative Gaussian curvature assembled from pentagonal carbon nanoflakes Zhang, Cunzhi; Wang, Fancy Qian; Yu, Jiabing Physical Chemistry Chemical Physics, Vol. 20, Issue 14 https://doi.org/10.1039/c8cp00263k	journal	January 2018
Ultrathin Layers of PdPX (X=S, Se): Two Dimensional Semiconductors for Photocatalytic Water Splitting Jing, Yu; Ma, Yandong; Wang, Yu Chemistry - A European Journal, Vol. 23, Issue 55 https://doi.org/10.1002/chem.201703683	journal	September 2017
Studying the electronic and phononic structure of penta-graphane Einollahzadeh, Hamideh; Fazeli, Seyed Mahdi; Dariani, Reza Sabet Science and Technology of Advanced Materials, Vol. 17, Issue 1 https://doi.org/10.1080/14686996.2016.1219970	journal	July 2016
Auxetic Nanomaterials: Recent Progress and Future Development Jiang, Jin-Wu; Kim, Sung Youb; Park, Harold S. arXiv https://doi.org/10.48550/arxiv.1609.07614	text	January 2016
Negative Poisson's Ratio in 1T-Type Crystalline Two-Dimensional Transition Metal Dichalcogenides Yu, Liping; Yan, Qimin; Ruzsinszky, Adrienn arXiv https://doi.org/10.48550/arxiv.1701.06529	text	January 2017
KTlO: A metal shrouded 2D semiconductor with high carrier mobility and tunable magnetism Song, Ya-Qian; Yuan, Jun-Hui; Li, Li-Heng arXiv https://doi.org/10.48550/arxiv.1809.11109	preprint	January 2018
Ultralow lattice thermal conductivity of monolayer penta-silicene and penta-germanene Gao, Zhibin; Zhang, Zhaofu; Liu, Gang arXiv https://doi.org/10.48550/arxiv.1910.13780	text	January 2019
Few-Layer PdSe ₂ Sheets: Promising Thermoelectric Materials Driven by High Valley Convergence Sun, Minglei; Chou, Jyh-Pin; Shi, Lihong ACS Omega, Vol. 3, Issue 6 https://doi.org/10.1021/acsomega.8b00485	journal	June 2018
Symmetry-protected metallic and topological phases in penta-materials Bravo, Sergio; Correa, Julián; Chico, Leonor Scientific Reports, Vol. 9, Issue 1 https://doi.org/10.1038/s41598-019-49187-w	journal	September 2019
A new structure of two-dimensional allotropes of group V elements Li, Ping; Luo, Weidong Scientific Reports, Vol. 6, Issue 1 https://doi.org/10.1038/srep25423	journal	May 2016
Half-metallicity and ferromagnetism in penta-AlN2 nanostructure Li, Jiao; Fan, Xinyu; Wei, Yanpei Scientific Reports, Vol. 6, Issue 1 https://doi.org/10.1038/srep33060	journal	September 2016
Structural and electronic properties of two-dimensional stanene and graphene heterostructure Wu, Liyuan; Lu, Pengfei; Bi, Jingyun Nanoscale Research Letters, Vol. 11, Issue 1 https://doi.org/10.1186/s11671-016-1731-z	journal	November 2016
Tight-binding approach to penta-graphene Stauber, T.; Beltrán, J. I.; Schliemann, J. arXiv https://doi.org/10.48550/arxiv.1509.08651	text	January 2015
Tight-binding model for opto-electronic properties of penta-graphene nanostructures Bravo, Sergio; Correa, J. D.; Chico, Leonor arXiv https://doi.org/10.48550/arxiv.1712.07544	text	January 2017

Similar Records

Imidazole-graphyne: a new 2D carbon nitride with a direct bandgap and strong IR refraction

Journal Article · Tue Apr 20 00:00:00 EDT 2021 · Physical Chemistry Chemical Physics. PCCP · OSTI ID:1349048

Zhou, Wenyang; Guo, Yaguang; Shen, Yiheng; +2 more

Electronic and optical properties of novel carbon allotropes

Journal Article · Fri Jan 22 00:00:00 EST 2016 · Carbon · OSTI ID:1349048

Wang, Zhanyu; Dong, F.; Shen, B.; +9 more

Realization of an Ideal Cairo Tessellation in Nickel Diazenide NiN₂: High-Pressure Route to Pentagonal 2D Materials

Journal Article · Fri Aug 06 00:00:00 EDT 2021 · ACS Nano · OSTI ID:1349048

Bykov, Maxim; Bykova, Elena; Ponomareva, Alena V.; +8 more

Related Subjects

36 MATERIALS SCIENCE
carbon allotrope
carbon pentagon
electronic structure
negative Poisson's ratio
stability

Title: Penta-graphene: A new carbon allotrope

Citation Formats

References (59)

Cited By (141)

Similar Records

Related Subjects