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Evaluating the exfoliation of two-dimensional materials with a Green's function surface model
- Publication Date:
- Sponsoring Org.:
- USDOE
- OSTI Identifier:
- 1599494
- Grant/Contract Number:
- FG02-05ER46237
- Resource Type:
- Publisher's Accepted Manuscript
- Journal Name:
- Physical Review B
- Additional Journal Information:
- Journal Name: Physical Review B Journal Volume: 101 Journal Issue: 7; Journal ID: ISSN 2469-9950
- Publisher:
- American Physical Society
- Country of Publication:
- United States
- Language:
- English
Citation Formats
An, Yipeng, Hou, Yusheng, Gong, Shijing, Wu, Ruqian, Zhao, Chuanxi, Wang, Tianxing, Jiao, Zhaoyong, Wang, Heyan, and Liu, Wuming. Evaluating the exfoliation of two-dimensional materials with a Green's function surface model. United States: N. p., 2020.
Web. doi:10.1103/PhysRevB.101.075416.
An, Yipeng, Hou, Yusheng, Gong, Shijing, Wu, Ruqian, Zhao, Chuanxi, Wang, Tianxing, Jiao, Zhaoyong, Wang, Heyan, & Liu, Wuming. Evaluating the exfoliation of two-dimensional materials with a Green's function surface model. United States. doi:10.1103/PhysRevB.101.075416.
An, Yipeng, Hou, Yusheng, Gong, Shijing, Wu, Ruqian, Zhao, Chuanxi, Wang, Tianxing, Jiao, Zhaoyong, Wang, Heyan, and Liu, Wuming. Thu .
"Evaluating the exfoliation of two-dimensional materials with a Green's function surface model". United States. doi:10.1103/PhysRevB.101.075416.
@article{osti_1599494,
title = {Evaluating the exfoliation of two-dimensional materials with a Green's function surface model},
author = {An, Yipeng and Hou, Yusheng and Gong, Shijing and Wu, Ruqian and Zhao, Chuanxi and Wang, Tianxing and Jiao, Zhaoyong and Wang, Heyan and Liu, Wuming},
abstractNote = {},
doi = {10.1103/PhysRevB.101.075416},
journal = {Physical Review B},
number = 7,
volume = 101,
place = {United States},
year = {2020},
month = {2}
}
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Works referenced in this record:
Tunable Type-II - Nanoheterostructures for Photocatalysis Applications
journal, April 2019
- Zhang, Jihua; Deng, Mingsen; Yan, Yunan
- Physical Review Applied, Vol. 11, Issue 4
Liquid Exfoliation of Layered Materials
journal, June 2013
- Nicolosi, V.; Chhowalla, M.; Kanatzidis, M. G.
- Science, Vol. 340, Issue 6139, p. 1226419
Generalized Gradient Approximation Made Simple
journal, October 1996
- Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
- Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
Atomic-scale imaging of carbon nanofibre growth
journal, January 2004
- Helveg, Stig; López-Cartes, Carlos; Sehested, Jens
- Nature, Vol. 427, Issue 6973
Doping Graphene with Metal Contacts
journal, July 2008
- Giovannetti, G.; Khomyakov, P. A.; Brocks, G.
- Physical Review Letters, Vol. 101, Issue 2
Carrier and Polarization Dynamics in Monolayer
journal, January 2014
- Lagarde, D.; Bouet, L.; Marie, X.
- Physical Review Letters, Vol. 112, Issue 4
Two-dimensional covalent carbon nitride nanosheets: synthesis, functionalization, and applications
journal, January 2015
- Zhang, Jinshui; Chen, Yan; Wang, Xinchen
- Energy & Environmental Science, Vol. 8, Issue 11
Measurement of the cleavage energy of graphite
journal, August 2015
- Wang, Wen; Dai, Shuyang; Li, Xide
- Nature Communications, Vol. 6, Issue 1
Improvements on non-equilibrium and transport Green function techniques: The next-generation transiesta
journal, March 2017
- Papior, Nick; Lorente, Nicolás; Frederiksen, Thomas
- Computer Physics Communications, Vol. 212
Maximally localized Wannier functions: Theory and applications
journal, October 2012
- Marzari, Nicola; Mostofi, Arash A.; Yates, Jonathan R.
- Reviews of Modern Physics, Vol. 84, Issue 4
Monolayer of the transition metal trichloride : A playground for two-dimensional magnetism, room-temperature quantum anomalous Hall effect, and topological phase transitions
journal, May 2017
- Sheng, Xian-Lei; Nikolić, Branislav K.
- Physical Review B, Vol. 95, Issue 20
Experimental realization of two-dimensional boron sheets
journal, March 2016
- Feng, Baojie; Zhang, Jin; Zhong, Qing
- Nature Chemistry, Vol. 8, Issue 6
Graphene–nickel interfaces: a review
journal, January 2014
- Dahal, Arjun; Batzill, Matthias
- Nanoscale, Vol. 6, Issue 5
Negative-Differential-Resistance Devices Achieved by Band-Structure Engineering in Silicene under Periodic Potentials
journal, October 2018
- Chen, Chang-Hung; Li, Wen-Wu; Chang, Yuan-Ming
- Physical Review Applied, Vol. 10, Issue 4
Electrical control of 2D magnetism in bilayer CrI3
journal, April 2018
- Huang, Bevin; Clark, Genevieve; Klein, Dahlia R.
- Nature Nanotechnology, Vol. 13, Issue 7
Electron-Paramagnetic-Resonance Study of Cr Ions and Exchange-Coupled Cr Ion Pairs in the Bi Structure
journal, February 1969
- Bené, R. W.
- Physical Review, Vol. 178, Issue 2
GeP 3 : A Small Indirect Band Gap 2D Crystal with High Carrier Mobility and Strong Interlayer Quantum Confinement
journal, February 2017
- Jing, Yu; Ma, Yandong; Li, Yafei
- Nano Letters, Vol. 17, Issue 3
Graphene and Graphene Oxide: Synthesis, Properties, and Applications
journal, June 2010
- Zhu, Yanwu; Murali, Shanthi; Cai, Weiwei
- Advanced Materials, Vol. 22, Issue 35, p. 3906-3924
Probing magnetism in 2D van der Waals crystalline insulators via electron tunneling
journal, May 2018
- Klein, D. R.; MacNeill, D.; Lado, J. L.
- Science, Vol. 360, Issue 6394
Optimized norm-conserving Vanderbilt pseudopotentials
journal, August 2013
- Hamann, D. R.
- Physical Review B, Vol. 88, Issue 8
Type-II Ising Superconductivity in Two-Dimensional Materials with Spin-Orbit Coupling
journal, September 2019
- Wang, Chong; Lian, Biao; Guo, Xiaomi
- Physical Review Letters, Vol. 123, Issue 12
Discovery of Weyl Nodal Lines in a Single-Layer Ferromagnet
journal, September 2019
- Feng, Baojie; Zhang, Run-Wu; Feng, Ya
- Physical Review Letters, Vol. 123, Issue 11
Ab initio modeling of open systems: Charge transfer, electron conduction, and molecular switching of a device
journal, March 2001
- Taylor, Jeremy; Guo, Hong; Wang, Jian
- Physical Review B, Vol. 63, Issue 12
Density-functional method for nonequilibrium electron transport
journal, March 2002
- Brandbyge, Mads; Mozos, José-Luis; Ordejón, Pablo
- Physical Review B, Vol. 65, Issue 16, Article No. 165401
Topological proximity effect in a topological insulator hybrid
journal, March 2015
- Shoman, T.; Takayama, A.; Sato, T.
- Nature Communications, Vol. 6, Issue 1
Half Layer By Half Layer Growth of a Blue Phosphorene Monolayer on a GaN(001) Substrate
journal, January 2017
- Zeng, Jiang; Cui, Ping; Zhang, Zhenyu
- Physical Review Letters, Vol. 118, Issue 4
Epitaxial growth of two-dimensional stanene
journal, August 2015
- Zhu, Feng-feng; Chen, Wei-jiong; Xu, Yong
- Nature Materials, Vol. 14, Issue 10
General atomistic approach for modeling metal-semiconductor interfaces using density functional theory and nonequilibrium Green's function
journal, April 2016
- Stradi, Daniele; Martinez, Umberto; Blom, Anders
- Physical Review B, Vol. 93, Issue 15
Large Area, Few-Layer Graphene Films on Arbitrary Substrates by Chemical Vapor Deposition
journal, January 2009
- Reina, Alfonso; Jia, Xiaoting; Ho, John
- Nano Letters, Vol. 9, Issue 1
First-principles Green's-function method for surface calculations: A pseudopotential localized basis set approach
journal, November 2017
- Smidstrup, Søren; Stradi, Daniele; Wellendorff, Jess
- Physical Review B, Vol. 96, Issue 19
Band Structure of the IV-VI Black Phosphorus Analog and Thermoelectric SnSe
journal, April 2018
- Pletikosić, I.; von Rohr, F.; Pervan, P.
- Physical Review Letters, Vol. 120, Issue 15
Wet-chemical synthesis and applications of non-layer structured two-dimensional nanomaterials
journal, August 2015
- Tan, Chaoliang; Zhang, Hua
- Nature Communications, Vol. 6, Issue 1
A Rigorous Method of Calculating Exfoliation Energies from First Principles
journal, April 2018
- Jung, Jong Hyun; Park, Cheol-Hwan; Ihm, Jisoon
- Nano Letters, Vol. 18, Issue 5
Simulations of Quantum Transport in Sub-5-nm Monolayer Phosphorene Transistors
journal, August 2018
- Quhe, Ruge; Li, Qiuhui; Zhang, Qiaoxuan
- Physical Review Applied, Vol. 10, Issue 2
Giant Magnetic Anisotropy Induced by Ligand Coupling in Layered Cr Compounds
journal, May 2019
- Kim, Dong-Hwan; Kim, Kyoo; Ko, Kyung-Tae
- Physical Review Letters, Vol. 122, Issue 20
Gate-tunable room-temperature ferromagnetism in two-dimensional Fe3GeTe2
journal, October 2018
- Deng, Yujun; Yu, Yijun; Song, Yichen
- Nature, Vol. 563, Issue 7729
Interfacial Properties of Monolayer Antimonene Devices
journal, June 2019
- Zhang, Han; Xiong, Junhua; Ye, Meng
- Physical Review Applied, Vol. 11, Issue 6
Two-Dimensional Nanocrystals Produced by Exfoliation of Ti3AlC2
journal, August 2011
- Naguib, Michael; Kurtoglu, Murat; Presser, Volker
- Advanced Materials, Vol. 23, Issue 37, p. 4248-4253
Electric Field Effect in Atomically Thin Carbon Films
journal, October 2004
- Novoselov, K. S.
- Science, Vol. 306, Issue 5696, p. 666-669
Electronics and optoelectronics of two-dimensional transition metal dichalcogenides
journal, November 2012
- Wang, Qing Hua; Kalantar-Zadeh, Kourosh; Kis, Andras
- Nature Nanotechnology, Vol. 7, Issue 11, p. 699-712
The SIESTA method for ab initio order- N materials simulation
journal, March 2002
- Soler, José M.; Artacho, Emilio; Gale, Julian D.
- Journal of Physics: Condensed Matter, Vol. 14, Issue 11
Controllable magnitude and anisotropy of the electrical conductivity of Hf 3 C 2 O 2 MXene
journal, March 2017
- Zha, Xian-Hu; Zhou, Jie; Luo, Kan
- Journal of Physics: Condensed Matter, Vol. 29, Issue 16
Negative differential conductance effect and electrical anisotropy of 2D ZrB 2 monolayers
journal, December 2018
- An, Yipeng; Jiao, Jutao; Hou, Yusheng
- Journal of Physics: Condensed Matter, Vol. 31, Issue 6
Calculation of angle-resolved photo emission spectra within the one-step model of photo emission—Recent developments
journal, April 2011
- Minár, J.; Braun, J.; Mankovsky, S.
- Journal of Electron Spectroscopy and Related Phenomena, Vol. 184, Issue 3-6
Topological insulators in Bi2Se3, Bi2Te3 and Sb2Te3 with a single Dirac cone on the surface
journal, May 2009
- Zhang, Haijun; Liu, Chao-Xing; Qi, Xiao-Liang
- Nature Physics, Vol. 5, Issue 6, p. 438-442
Quasi-Free-Standing Graphene Monolayer on a Ni Crystal through Spontaneous Na Intercalation
journal, July 2014
- Park, Young S.; Park, Jae H.; Hwang, Han N.
- Physical Review X, Vol. 4, Issue 3
Germanium monosulfide monolayer: a novel two-dimensional semiconductor with a high carrier mobility
journal, January 2016
- Li, Feng; Liu, Xiuhong; Wang, Yu
- Journal of Materials Chemistry C, Vol. 4, Issue 11
Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation
journal, September 1992
- Perdew, John P.; Chevary, J. A.; Vosko, S. H.
- Physical Review B, Vol. 46, Issue 11
Potassium intercalation in graphite: A van der Waals density-functional study
journal, October 2007
- Ziambaras, Eleni; Kleis, Jesper; Schröder, Elsebeth
- Physical Review B, Vol. 76, Issue 15
Layer-dependent ferromagnetism in a van der Waals crystal down to the monolayer limit
journal, June 2017
- Huang, Bevin; Clark, Genevieve; Navarro-Moratalla, Efrén
- Nature, Vol. 546, Issue 7657
Unveiling the Electric-Current-Limiting and Photodetection Effect in Two-Dimensional Hydrogenated Borophene
journal, June 2019
- An, Yipeng; Hou, Yusheng; Wang, Hui
- Physical Review Applied, Vol. 11, Issue 6
Semiempirical GGA-type density functional constructed with a long-range dispersion correction
journal, January 2006
- Grimme, Stefan
- Journal of Computational Chemistry, Vol. 27, Issue 15, p. 1787-1799
Synthesis of borophenes: Anisotropic, two-dimensional boron polymorphs
journal, December 2015
- Mannix, A. J.; Zhou, X. -F.; Kiraly, B.
- Science, Vol. 350, Issue 6267
The growth modes of graphene in the initial stage of a chemical vapor-deposition process
journal, January 2016
- Fu, Zhaoming; An, Yipeng
- RSC Advances, Vol. 6, Issue 94
Theoretical study on the anisotropic electronic structure of antiferromagnetic and Co-doped as seen by angle-resolved photoemission
journal, April 2016
- Derondeau, Gerald; Braun, Jürgen; Ebert, Hubert
- Physical Review B, Vol. 93, Issue 14
Strain-Enhanced Doping in Monolayer
journal, February 2018
- Choi, Minseok
- Physical Review Applied, Vol. 9, Issue 2
Large Scale Growth and Characterization of Atomic Hexagonal Boron Nitride Layers
journal, August 2010
- Song, Li; Ci, Lijie; Lu, Hao
- Nano Letters, Vol. 10, Issue 8, p. 3209-3215
Silicene: Compelling Experimental Evidence for Graphenelike Two-Dimensional Silicon
journal, April 2012
- Vogt, Patrick; De Padova, Paola; Quaresima, Claudio
- Physical Review Letters, Vol. 108, Issue 15
Black phosphorus field-effect transistors
journal, March 2014
- Li, Likai; Yu, Yijun; Ye, Guo Jun
- Nature Nanotechnology, Vol. 9, Issue 5
Fermi-level pinning, charge transfer, and relaxation of spin-momentum locking at metal contacts to topological insulators
journal, August 2014
- Spataru, Catalin D.; Léonard, François
- Physical Review B, Vol. 90, Issue 8
2D metal carbides and nitrides (MXenes) for energy storage
journal, January 2017
- Anasori, Babak; Lukatskaya, Maria R.; Gogotsi, Yury
- Nature Reviews Materials, Vol. 2, Issue 2
QuantumATK: an integrated platform of electronic and atomic-scale modelling tools
journal, October 2019
- Smidstrup, Søren; Markussen, Troels; Vancraeyveld, Pieter
- Journal of Physics: Condensed Matter, Vol. 32, Issue 1