Nitrogen Doping Enables Covalent-Like π–π Bonding between Graphenes
Abstract
In neighboring layers of bilayer (and few-layer) graphenes, both AA and AB stacking motifs are known to be separated at a distance corresponding to van der Waals (vdW) interactions. In this Letter, we present for the first time a new aspect of graphene chemistry in terms of a special chemical bonding between the giant graphene "molecules". Through rigorous theoretical calculations, we demonstrate that the N-doped graphenes (NGPs) with various doping levels can form an unusual two-dimensional (2D) pi-pi bonding in bilayer NGPs bringing the neighboring NGPs to significantly reduced interlayer separations. The interlayer binding energies can be enhanced by up to 50% compared to the pristine graphene bilayers that are characterized by only vdW interactions. Such an unusual chemical bonding arises from the pi-pi overlap across the vdW gap while the individual layers maintain their in-plane pi-conjugation and are accordingly planar. Moreover, the existence of the resulting interlayer covalent-like bonding is corroborated by electronic structure calculations and crystal orbital overlap population (COOP) analyses. In NGP-based graphite with the optimal doping level, the NGP layers are uniformly stacked and the 3D bulk exhibits metallic characteristics both in the in-plane and along the stacking directions.
- Authors:
-
- Sichuan Univ., Chengdu (China)
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
- Georgetown Univ., Washington, DC (United States)
- Publication Date:
- Research Org.:
- Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS)
- Sponsoring Org.:
- USDOE Office of Science (SC); National Science Foundation of China; National Science Foundation (NSF)
- OSTI Identifier:
- 1261464
- Grant/Contract Number:
- AC05-00OR22725; 21443012; CHE-1006702; AC02-05CH11231
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Nano Letters
- Additional Journal Information:
- Journal Volume: 15; Journal Issue: 8; Journal ID: ISSN 1530-6984
- Publisher:
- American Chemical Society
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; graphene; nitrogen doping; interlayer separation; pi-pi bonding; pancake bonding; van der Waals; CHEMICAL-VAPOR-DEPOSITION; N-DOPED GRAPHENE; BILAYER GRAPHENE; ELECTRONIC-STRUCTURE; MONOLAYER GRAPHENE; BORON; GRAPHITE; CRYSTAL; PANCAKE; DIMERS
Citation Formats
Tian, Yong-Hui, Huang, Jingsong, Sheng, Xiaolan, Sumpter, Bobby G., Yoon, Mina, and Kertesz, Miklos. Nitrogen Doping Enables Covalent-Like π–π Bonding between Graphenes. United States: N. p., 2015.
Web. doi:10.1021/acs.nanolett.5b01940.
Tian, Yong-Hui, Huang, Jingsong, Sheng, Xiaolan, Sumpter, Bobby G., Yoon, Mina, & Kertesz, Miklos. Nitrogen Doping Enables Covalent-Like π–π Bonding between Graphenes. United States. https://doi.org/10.1021/acs.nanolett.5b01940
Tian, Yong-Hui, Huang, Jingsong, Sheng, Xiaolan, Sumpter, Bobby G., Yoon, Mina, and Kertesz, Miklos. Tue .
"Nitrogen Doping Enables Covalent-Like π–π Bonding between Graphenes". United States. https://doi.org/10.1021/acs.nanolett.5b01940. https://www.osti.gov/servlets/purl/1261464.
@article{osti_1261464,
title = {Nitrogen Doping Enables Covalent-Like π–π Bonding between Graphenes},
author = {Tian, Yong-Hui and Huang, Jingsong and Sheng, Xiaolan and Sumpter, Bobby G. and Yoon, Mina and Kertesz, Miklos},
abstractNote = {In neighboring layers of bilayer (and few-layer) graphenes, both AA and AB stacking motifs are known to be separated at a distance corresponding to van der Waals (vdW) interactions. In this Letter, we present for the first time a new aspect of graphene chemistry in terms of a special chemical bonding between the giant graphene "molecules". Through rigorous theoretical calculations, we demonstrate that the N-doped graphenes (NGPs) with various doping levels can form an unusual two-dimensional (2D) pi-pi bonding in bilayer NGPs bringing the neighboring NGPs to significantly reduced interlayer separations. The interlayer binding energies can be enhanced by up to 50% compared to the pristine graphene bilayers that are characterized by only vdW interactions. Such an unusual chemical bonding arises from the pi-pi overlap across the vdW gap while the individual layers maintain their in-plane pi-conjugation and are accordingly planar. Moreover, the existence of the resulting interlayer covalent-like bonding is corroborated by electronic structure calculations and crystal orbital overlap population (COOP) analyses. In NGP-based graphite with the optimal doping level, the NGP layers are uniformly stacked and the 3D bulk exhibits metallic characteristics both in the in-plane and along the stacking directions.},
doi = {10.1021/acs.nanolett.5b01940},
journal = {Nano Letters},
number = 8,
volume = 15,
place = {United States},
year = {Tue Jul 07 00:00:00 EDT 2015},
month = {Tue Jul 07 00:00:00 EDT 2015}
}
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Works referenced in this record:
Electric Field Effect in Atomically Thin Carbon Films
journal, October 2004
- Novoselov, K. S.
- Science, Vol. 306, Issue 5696, p. 666-669
Graphene: Status and Prospects
journal, June 2009
- Geim, A. K.
- Science, Vol. 324, Issue 5934, p. 1530-1534
Charge Carriers in Few-Layer Graphene Films
journal, July 2006
- Latil, Sylvain; Henrard, Luc
- Physical Review Letters, Vol. 97, Issue 3
Open and Closed Edges of Graphene Layers
journal, January 2009
- Liu, Zheng; Suenaga, Kazu; Harris, Peter J. F.
- Physical Review Letters, Vol. 102, Issue 1
Two Distinct Phases of Bilayer Graphene Films on Ru(0001)
journal, September 2012
- Papagno, Marco; Pacilé, Daniela; Topwal, Dinesh
- ACS Nano, Vol. 6, Issue 10
Stacking sequence dependence of graphene layers on SiC (0001−)—Experimental and theoretical investigation
journal, May 2011
- Borysiuk, J.; Sołtys, J.; Piechota, J.
- Journal of Applied Physics, Vol. 109, Issue 9
Broken-symmetry states and divergent resistance in suspended bilayer graphene
journal, September 2009
- Feldman, Benjamin E.; Martin, Jens; Yacoby, Amir
- Nature Physics, Vol. 5, Issue 12
Interaction-Driven Spectrum Reconstruction in Bilayer Graphene
journal, August 2011
- Mayorov, A. S.; Elias, D. C.; Mucha-Kruczynski, M.
- Science, Vol. 333, Issue 6044
Growth of Bilayer Graphene on Insulating Substrates
journal, October 2011
- Yan, Zheng; Peng, Zhiwei; Sun, Zhengzong
- ACS Nano, Vol. 5, Issue 10, p. 8187-8192
Why Multilayer Graphene on Behaves Like a Single Sheet of Graphene
journal, March 2008
- Hass, J.; Varchon, F.; Millán-Otoya, J. E.
- Physical Review Letters, Vol. 100, Issue 12
The electronic properties of bilayer graphene
journal, April 2013
- McCann, Edward; Koshino, Mikito
- Reports on Progress in Physics, Vol. 76, Issue 5
The electronic properties of graphene
journal, January 2009
- Castro Neto, A. H.; Guinea, F.; Peres, N. M. R.
- Reviews of Modern Physics, Vol. 81, Issue 1, p. 109-162
Controlling the Electronic Structure of Bilayer Graphene
journal, August 2006
- Ohta, Taisuke; Bostwick, Aaron; Seyller, Thomas
- Science, Vol. 313, Issue 5789
Metal-insulator transition and phase separation in doped AA-stacked graphene bilayer
journal, March 2013
- Sboychakov, A. O.; Rakhmanov, A. L.; Rozhkov, A. V.
- Physical Review B, Vol. 87, Issue 12
Microscopic polarization in bilayer graphene
journal, April 2011
- Rutter, Gregory M.; Jung, Suyong; Klimov, Nikolai N.
- Nature Physics, Vol. 7, Issue 8
Localization of Dirac Electrons in Rotated Graphene Bilayers
journal, March 2010
- Trambly de Laissardière, G.; Mayou, D.; Magaud, L.
- Nano Letters, Vol. 10, Issue 3
Graphene Bilayer with a Twist: Electronic Structure
journal, December 2007
- Lopes dos Santos, J. M. B.; Peres, N. M. R.; Castro Neto, A. H.
- Physical Review Letters, Vol. 99, Issue 25
Instabilities of the -Stacked Graphene Bilayer
journal, November 2012
- Rakhmanov, A. L.; Rozhkov, A. V.; Sboychakov, A. O.
- Physical Review Letters, Vol. 109, Issue 20
Strong covalent bonding between two graphene layers
journal, January 2008
- de Andres, P. L.; Ramírez, R.; Vergés, J. A.
- Physical Review B, Vol. 77, Issue 4
Magneto-Opto-Electronic Bistability in a Phenalenyl-Based Neutral Radical
journal, May 2002
- Itkis, M. E.
- Science, Vol. 296, Issue 5572
Crystal packing of TCNQ anion π-radicals governed by intermolecular covalent π–π bonding: DFT calculations and statistical analysis of crystal structures
journal, January 2008
- Huang, Jingsong; Kingsbury, Stephanie; Kertesz, Miklos
- Physical Chemistry Chemical Physics, Vol. 10, Issue 19
A Stable Neutral Hydrocarbon Radical: Synthesis, Crystal Structure, and Physical Properties of 2,5,8-Tri- tert -butyl-phenalenyl
journal, February 1999
- Goto, Kosaburo; Kubo, Takashi; Yamamoto, Kagetoshi
- Journal of the American Chemical Society, Vol. 121, Issue 7
Intermolecular π-to-π Bonding between Stacked Aromatic Dyads. Experimental and Theoretical Binding Energies and Near-IR Optical Transitions for Phenalenyl Radical/Radical versus Radical/Cation Dimerizations
journal, October 2004
- Small, David; Zaitsev, Vladimir; Jung, Yousung
- Journal of the American Chemical Society, Vol. 126, Issue 42
Aromaticity on the Pancake-Bonded Dimer of Neutral Phenalenyl Radical as Studied by MS and NMR Spectroscopies and NICS Analysis
journal, March 2006
- Suzuki, Shuichi; Morita, Yasushi; Fukui, Kozo
- Journal of the American Chemical Society, Vol. 128, Issue 8
Resonating Valence-Bond Ground State in a Phenalenyl-Based Neutral Radical Conductor
journal, July 2005
- Pal, S. K.
- Science, Vol. 309, Issue 5732
Synthesis, Intermolecular Interaction, and Semiconductive Behavior of a Delocalized Singlet Biradical Hydrocarbon
journal, October 2005
- Kubo, Takashi; Shimizu, Akihiro; Sakamoto, Maki
- Angewandte Chemie International Edition, Vol. 44, Issue 40
Hybrid Density Functional Theory Studies on the Magnetic Interactions and the Weak Covalent Bonding for the Phenalenyl Radical Dimeric Pair
journal, September 2002
- Takano, Yu; Taniguchi, Takeshi; Isobe, Hiroshi
- Journal of the American Chemical Society, Vol. 124, Issue 37
Comparative Analysis of the Multicenter, Long Bond in [TCNE] ·− and Phenalenyl Radical Dimers: A Unified Description of Multicenter, Long Bonds
journal, June 2009
- Mota, Fernando; Miller, Joel S.; Novoa, Juan J.
- Journal of the American Chemical Society, Vol. 131, Issue 22
Intermolecular Covalent π−π Bonding Interaction Indicated by Bond Distances, Energy Bands, and Magnetism in Biphenalenyl Biradicaloid Molecular Crystal
journal, February 2007
- Huang, Jingsong; Kertesz, Miklos
- Journal of the American Chemical Society, Vol. 129, Issue 6
Is There a Lower Limit to the CC Bonding Distances in Neutral Radical π-Dimers? The Case of Phenalenyl Derivatives
journal, August 2010
- Tian, Yong-Hui; Kertesz, Miklos
- Journal of the American Chemical Society, Vol. 132, Issue 31
Charge Shift Bonding Concept in Radical π-Dimers
journal, December 2011
- Tian, Yong-Hui; Kertesz, Miklos
- The Journal of Physical Chemistry A, Vol. 115, Issue 47
Rotational Barrier in Phenalenyl Neutral Radical Dimer: Separating Pancake and van der Waals Interactions
journal, April 2014
- Cui, Zhong-hua; Lischka, Hans; Beneberu, Habtamu Z.
- Journal of the American Chemical Society, Vol. 136, Issue 15
Pancake π–π Bonding Goes Double: Unexpected 4e/All-Sites Bonding in Boron- and Nitrogen-Doped Phenalenyls
journal, June 2015
- Tian, Yong-Hui; Sumpter, Bobby G.; Du, Shiyu
- The Journal of Physical Chemistry Letters, Vol. 6, Issue 12
Synthetic organic spin chemistry for structurally well-defined open-shell graphene fragments
journal, February 2011
- Morita, Yasushi; Suzuki, Shuichi; Sato, Kazunobu
- Nature Chemistry, Vol. 3, Issue 3
Phase Control of Graphene Nanoribbon by Carrier Doping: Appearance of Noncollinear Magnetism
journal, January 2009
- Sawada, Keisuke; Ishii, Fumiyuki; Saito, Mineo
- Nano Letters, Vol. 9, Issue 1
Tunable Electronics in Large-Area Atomic Layers of Boron–Nitrogen–Carbon
journal, July 2013
- Muchharla, Baleeswaraiah; Pathak, Arjun; Liu, Zheng
- Nano Letters, Vol. 13, Issue 8
Tunable metal–insulator transition in double-layer graphene heterostructures
journal, October 2011
- Ponomarenko, L. A.; Geim, A. K.; Zhukov, A. A.
- Nature Physics, Vol. 7, Issue 12
Nitrogen-doped graphene: beyond single substitution and enhanced molecular sensing
journal, August 2012
- Lv, Ruitao; Li, Qing; Botello-Méndez, Andrés R.
- Scientific Reports, Vol. 2, Issue 1
Edge-carboxylated graphene nanosheets via ball milling
journal, March 2012
- Jeon, I. -Y.; Shin, Y. -R.; Sohn, G. -J.
- Proceedings of the National Academy of Sciences, Vol. 109, Issue 15
Highly Air-Stable Phosphorus-Doped n-Type Graphene Field-Effect Transistors
journal, August 2012
- Some, Surajit; Kim, Jangah; Lee, Keunsik
- Advanced Materials, Vol. 24, Issue 40
Toward N-Doped Graphene via Solvothermal Synthesis
journal, March 2011
- Deng, Dehui; Pan, Xiulian; Yu, Liang
- Chemistry of Materials, Vol. 23, Issue 5
N-Doping of Graphene Through Electrothermal Reactions with Ammonia
journal, May 2009
- Wang, Xinran; Li, Xiaolin; Zhang, Li
- Science, Vol. 324, Issue 5928, p. 768-771
Doping Monolayer Graphene with Single Atom Substitutions
journal, December 2011
- Wang, Hongtao; Wang, Qingxiao; Cheng, Yingchun
- Nano Letters, Vol. 12, Issue 1
Growth of graphene from solid carbon sources
journal, November 2010
- Sun, Zhengzong; Yan, Zheng; Yao, Jun
- Nature, Vol. 468, Issue 7323
Formation, stabilities, and electronic properties of nitrogen defects in graphene
journal, December 2011
- Fujimoto, Yoshitaka; Saito, Susumu
- Physical Review B, Vol. 84, Issue 24
Visualizing Individual Nitrogen Dopants in Monolayer Graphene
journal, August 2011
- Zhao, L.; He, R.; Rim, K. T.
- Science, Vol. 333, Issue 6045
Connecting Dopant Bond Type with Electronic Structure in N-Doped Graphene
journal, July 2012
- Schiros, Theanne; Nordlund, Dennis; Pálová, Lucia
- Nano Letters, Vol. 12, Issue 8
Experimental analysis of charge redistribution due to chemical bonding by high-resolution transmission electron microscopy
journal, January 2011
- Meyer, Jannik C.; Kurasch, Simon; Park, Hye Jin
- Nature Materials, Vol. 10, Issue 3
Ab-initio calculation of electronic and optical properties of nitrogen and boron doped graphene nanosheet
journal, July 2014
- Nath, Palash; Chowdhury, Suman; Sanyal, D.
- Carbon, Vol. 73
Semi-metallic to semiconducting transition in graphene nanosheet with site specific co-doping of boron and nitrogen
journal, February 2014
- Nath, Palash; Sanyal, Dirtha; Jana, Debnarayan
- Physica E: Low-dimensional Systems and Nanostructures, Vol. 56
Nitrogen-Doped Graphene Sheets Grown by Chemical Vapor Deposition: Synthesis and Influence of Nitrogen Impurities on Carrier Transport
journal, July 2013
- Lu, Yu-Fen; Lo, Shun-Tsung; Lin, Jheng-Cyuan
- ACS Nano, Vol. 7, Issue 8
High concentration of nitrogen doped into graphene using N 2 plasma with an aluminum oxide buffer layer
journal, January 2014
- Park, Sang Han; Chae, Jimin; Cho, Mann-Ho
- J. Mater. Chem. C, Vol. 2, Issue 5
Nitrogen-Doped Graphene: Efficient Growth, Structure, and Electronic Properties
journal, December 2011
- Usachov, D.; Vilkov, O.; Grüneis, A.
- Nano Letters, Vol. 11, Issue 12
Synthesis of N-Doped Graphene by Chemical Vapor Deposition and Its Electrical Properties
journal, May 2009
- Wei, Dacheng; Liu, Yunqi; Wang, Yu
- Nano Letters, Vol. 9, Issue 5
How Much N-Doping Can Graphene Sustain?
journal, December 2014
- Shi, Zhiming; Kutana, Alex; Yakobson, Boris I.
- The Journal of Physical Chemistry Letters, Vol. 6, Issue 1
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996
- Kresse, G.; Furthmüller, J.
- Computational Materials Science, Vol. 6, Issue 1, p. 15-50
Projector augmented-wave method
journal, December 1994
- Blöchl, P. E.
- Physical Review B, Vol. 50, Issue 24, p. 17953-17979
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
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
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
journal, April 2010
- Grimme, Stefan; Antony, Jens; Ehrlich, Stephan
- The Journal of Chemical Physics, Vol. 132, Issue 15
Accurate Molecular Van Der Waals Interactions from Ground-State Electron Density and Free-Atom Reference Data
journal, February 2009
- Tkatchenko, Alexandre; Scheffler, Matthias
- Physical Review Letters, Vol. 102, Issue 7
Accurate and Efficient Method for Many-Body van der Waals Interactions
journal, June 2012
- Tkatchenko, Alexandre; DiStasio, Robert A.; Car, Roberto
- Physical Review Letters, Vol. 108, Issue 23
Chemical accuracy for the van der Waals density functional
journal, December 2009
- Klimeš, Jiří; Bowler, David R.; Michaelides, Angelos
- Journal of Physics: Condensed Matter, Vol. 22, Issue 2
Higher-accuracy van der Waals density functional
journal, August 2010
- Lee, Kyuho; Murray, Éamonn D.; Kong, Lingzhu
- Physical Review B, Vol. 82, Issue 8
Accurate Bulk Properties from Approximate Many-Body Techniques
journal, July 2009
- Harl, Judith; Kresse, Georg
- Physical Review Letters, Vol. 103, Issue 5
Ab initio molecular simulations with numeric atom-centered orbitals
journal, November 2009
- Blum, Volker; Gehrke, Ralf; Hanke, Felix
- Computer Physics Communications, Vol. 180, Issue 11
Sliding Mechanisms in Multilayered Hexagonal Boron Nitride and Graphene: The Effects of Directionality, Thickness, and Sliding Constraints
journal, March 2015
- Gao, Wang; Tkatchenko, Alexandre
- Physical Review Letters, Vol. 114, Issue 9
Cohesive Properties and Asymptotics of the Dispersion Interaction in Graphite by the Random Phase Approximation
journal, November 2010
- Lebègue, S.; Harl, J.; Gould, Tim
- Physical Review Letters, Vol. 105, Issue 19
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
Efficient pseudopotentials for plane-wave calculations
journal, January 1991
- Troullier, N.; Martins, José Luriaas
- Physical Review B, Vol. 43, Issue 3
X-ray diffraction data for graphite to 20 GPa
journal, July 1989
- Zhao, You Xiang; Spain, Ian L.
- Physical Review B, Vol. 40, Issue 2
Energy of Cohesion, Compressibility, and the Potential Energy Functions of the Graphite System
journal, October 1956
- Girifalco, L. A.; Lad, R. A.
- The Journal of Chemical Physics, Vol. 25, Issue 4
Interlayer cohesive energy of graphite from thermal desorption of polyaromatic hydrocarbons
journal, April 2004
- Zacharia, Renju; Ulbricht, Hendrik; Hertel, Tobias
- Physical Review B, Vol. 69, Issue 15
The electronic structure of BC3
journal, January 1988
- Lee, Yong-Sok; Kertesz, Miklos
- Journal of the Chemical Society, Chemical Communications, Issue 1
Dispersion corrections in graphenic systems: a simple and effective model of binding
journal, October 2013
- Gould, Tim; Lebègue, S.; Dobson, John F.
- Journal of Physics: Condensed Matter, Vol. 25, Issue 44
Dynamical screening of the van der Waals interaction between graphene layers
journal, October 2012
- Dappe, Y. J.; Bolcatto, P. G.; Ortega, J.
- Journal of Physics: Condensed Matter, Vol. 24, Issue 42
Interlayer interaction and relative vibrations of bilayer graphene
journal, January 2011
- Lebedeva, Irina V.; Knizhnik, Andrey A.; Popov, Andrey M.
- Physical Chemistry Chemical Physics, Vol. 13, Issue 13
The growth of AA graphite on (111) diamond
journal, December 2008
- Lee, Jae-Kap; Lee, Seung-Cheol; Ahn, Jae-Pyoung
- The Journal of Chemical Physics, Vol. 129, Issue 23
Two- and three-body interatomic dispersion energy contributions to binding in molecules and solids
journal, June 2010
- Anatole von Lilienfeld, O.; Tkatchenko, Alexandre
- The Journal of Chemical Physics, Vol. 132, Issue 23
Long-range correlation energy calculated from coupled atomic response functions
journal, May 2014
- Ambrosetti, Alberto; Reilly, Anthony M.; DiStasio, Robert A.
- The Journal of Chemical Physics, Vol. 140, Issue 18
Graphite Interplanar Bonding: Electronic Delocalization and van der Waals Interaction
journal, November 1994
- Charlier, J. -C; Gonze, X.; Michenaud, J. -P
- Europhysics Letters (EPL), Vol. 28, Issue 6
Designing band gap of graphene by B and N dopant atoms
journal, January 2013
- Rani, Pooja; Jindal, V. K.
- RSC Adv., Vol. 3, Issue 3
Solids and Surfaces: A Chemist's View of Bonding in Extended Structures
report, July 1988
- Hoffman, Roald
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journal, October 2016
- Papon, Remi; Sharma, Kamal P.; Mahayavanshi, Rakesh D.
- physica status solidi (RRL) - Rapid Research Letters, Vol. 10, Issue 10
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journal, November 2018
- Kertesz, Miklos
- Chemistry - A European Journal, Vol. 25, Issue 2
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journal, January 2018
- Hu, Chongze; Ni, Peter; Zhan, Li
- Rare Metals, Vol. 37, Issue 4
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journal, April 2017
- Zhan, Cheng; Lian, Cheng; Zhang, Yu
- Advanced Science, Vol. 4, Issue 7
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journal, March 2018
- Khan, Mehedi H.; Leszczynska, Danuta; Majumdar, D.
- ACS Omega, Vol. 3, Issue 3