Access the full text.
Sign up today, get DeepDyve free for 14 days.
Loading next page...
/lp/iop-publishing/the-computational-2d-materials-database-high-throughput-modeling-and-2FInGZ0ixm
References (174)
-
Filip Rasmussen, P. Schmidt, K. Winther, K. Thygesen (2015)
Efficient many-body calculations for two-dimensional materials using exact limits for the screened potential: Band gaps of MoS 2 , h -BN, and phosphorenePhysical Review B, 94
-
M. Shishkin, G. Kresse (2007)
Self-consistent G W calculations for semiconductors and insulatorsPhysical Review B, 75
-
Zakaria Balushi, Ke Wang, R. Ghosh, R. Vila, S. Eichfeld, J. Caldwell, Xiaoye Qin, Yu‐Chuan Lin, P. DeSario, G. Stone, S. Subramanian, D. Paul, R. Wallace, S. Datta, J. Redwing, J. Robinson (2016)
Two-dimensional gallium nitride realized via graphene encapsulation.Nature materials, 15 11
-
Michael Naguib, O. Mashtalir, Joshua Carle, V. Presser, Jun Lu, L. Hultman, Y. Gogotsi, M. Barsoum (2012)
Two-dimensional transition metal carbides.ACS nano, 6 2
-
(2013)
Effect of spin–orbit interaction on the optical spectra of single-layer, double-layer and bulk MoS2 -
P. Schmidt, C. Patrick, K. Thygesen (2017)
Simple vertex correction improves GW band energies of bulk and two-dimensional crystalsPhysical Review B, 96
-
D. Qiu, F. Jornada, S. Louie (2016)
Screening and many-body effects in two-dimensional crystals: Monolayer MoS 2Physical Review B, 93
-
Han Liu, A. Neal, Zhen Zhu, Zhe Luo, Xianfan Xu, D. Tománek, P. Ye (2014)
Phosphorene: an unexplored 2D semiconductor with a high hole mobility.ACS nano, 8 4
-
M. Bokdam, T. Amlaki, G. Brocks, P. Kelly (2014)
Band gaps in incommensurable graphene on hexagonal boron nitridePhysical Review B, 89
-
Likai Li, Yijun Yu, G. Ye, Q. Ge, Xuedong Ou, Hua-Yao Wu, D. Feng, X. Chen, Yuanbo Zhang (2014)
Black phosphorus field-effect transistors.Nature nanotechnology, 9 5
-
Yu‐qi Wang, Xu Wu, Y. Ge, Ye‐Liang Wang, Hai-ming Guo, Y. Shao, T. Lei, Chen Liu, Jiaou Wang, Shiyu Zhu, Zhong‐Liu Liu, Wei Guo, K. Ibrahim, Yu Yao, Hong-jun Gao (2016)
Tunable Electronic Structures in Wrinkled 2D Transition‐Metal‐Trichalcogenide (TMT) HfTe3 FilmsAdvanced Electronic Materials, 2
-
Kamal Choudhary, Irina Kalish, R. Beams, F. Tavazza (2017)
High-throughput Identification and Characterization of Two-dimensional Materials using Density functional theoryScientific Reports, 7
-
Á. Rubio, M. Marques (2009)
Time-dependent density-functional theory.Physical chemistry chemical physics : PCCP, 11 22
-
Jianing Chen, M. Badioli, P. Alonso‐González, S. Thongrattanasiri, F. Huth, J. Osmond, M. Spasenović, A. Centeno, A. Pesquera, P. Godignon, A. Zurutuza, N. Camara, J. Abajo, R. Hillenbrand, F. Koppens (2012)
Optical nano-imaging of gate-tunable graphene plasmonsNature, 487
-
Wei Fu, Yu Chen, Junhao Lin, Xuewen Wang, Qingsheng Zeng, Jiadong Zhou, Lu Zheng, Hong Wang, Yongmin He, Haiyong He, Qundong Fu, K. Suenaga, T. Yu, Zheng Liu (2016)
Controlled Synthesis of Atomically Thin 1T-TaS2 for Tunable Charge Density Wave Phase TransitionsChemistry of Materials, 28
-
Junfeng Xie, Hao Zhang, Shuang Li, Ruoxing Wang, Xu Sun, Min Zhou, Jingfang Zhou, X. Lou, Yi Xie (2013)
Defect‐Rich MoS2 Ultrathin Nanosheets with Additional Active Edge Sites for Enhanced Electrocatalytic Hydrogen EvolutionAdvanced Materials, 25
-
Heng-Jui Liu, Jheng‐Cyuan Lin, Yue‐Wen Fang, Jing‐Ching Wang, Bo‐Chao Huang, Xiang Gao, Rong Huang, Philip Dean, P. Hatton, Y. Chin, Hong‐ji Lin, C. Chen, Y. Ikuhara, Y. Chiu, Chia‐Seng Chang, C. Duan, Qing He, Y. Chu (2016)
A Metal–Insulator Transition of the Buried MnO2 Monolayer in Complex Oxide HeterostructureAdvanced Materials, 28
-
S. Melchior, K. Raju, I. Ike, R. Erasmus, G. Kabongo, I. Sigalas, S. Iyuke, K. Ozoemena (2018)
High-voltage symmetric supercapacitor based on 2D Titanium Carbide (MXene, Ti2CTx)/carbon nanosphere composites in a neutral aqueous electrolyteJournal of The Electrochemical Society, 165
-
M. Bonilla, S. Kolekar, Yujing Ma, Horacio Diaz, V. Kalappattil, R. Das, T. Eggers, H. Gutiérrez, M. Phan, M. Batzill (2018)
Strong room-temperature ferromagnetism in VSe2 monolayers on van der Waals substratesNature Nanotechnology, 13
-
D. Late, B. Liu, Jiajun Luo, A. Yan, H. Matte, M. Grayson, C. Rao, V. Dravid (2012)
GaS and GaSe Ultrathin Layer TransistorsAdvanced Materials, 24
-
Jiong Yang, Renjing Xu, Jiajie Pei, Ye Myint, Fan Wang, Zhu Wang, Shuang Zhang, Zongfu Yu, Yuerui Lu (2015)
Optical tuning of exciton and trion emissions in monolayer phosphoreneLight: Science & Applications, 4
-
G. Onida, L. Reining, Á. Rubio (2002)
Electronic excitations: density-functional versus many-body Green's-function approachesReviews of Modern Physics, 74
-
T. Low, A. Chaves, J. Caldwell, Anshuman Kumar, N. Fang, P. Avouris, T. Heinz, F. Guinea, L. Martín-Moreno, F. Koppens (2016)
Polaritons in layered two-dimensional materials.Nature materials, 16 2
-
SUPARNA DUTTASINHA, I. Grigorieva (2013)
Van der Waals heterostructuresNature, 499
-
S. Mañas‐Valero, Víctor García‐López, A. Cantarero, M. Galbiati (2016)
Raman Spectra of ZrS2 and ZrSe2 from Bulk to Atomically Thin LayersApplied Sciences, 6
-
J. Enkovaara, C. Rostgaard, J. Mortensen, Jingzhe Chen, M. Dulak, L. Ferrighi, J. Gavnholt, C. Glinsvad, V. Haikola, H. Hansen, H. Kristoffersen, M. Kuisma, A. Larsen, L. Lehtovaara, M. Ljungberg, O. Lopez-Acevedo, P. Moses, J. Ojanen, T. Olsen, V. Petzold, N. Romero, J. Stausholm-Møller, M. Strange, G. Tritsaris, M. Vanin, M. Walter, B. Hammer, H. Häkkinen, G. Madsen, R. Nieminen, J. Nørskov, M. Puska, T. Rantala, J. Schiøtz, K. Thygesen, K. Jacobsen (2010)
Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave methodJournal of Physics: Condensed Matter, 22
-
Akinola Oyedele, Shi-ze Yang, L. Liang, A. Puretzky, Kai Wang, Jingjie Zhang, Peng Yu, P. Pudasaini, Avik Ghosh, Zheng Liu, C. Rouleau, B. Sumpter, M. Chisholm, Wu Zhou, P. Rack, D. Geohegan, Kai Xiao (2017)
PdSe2: Pentagonal Two-Dimensional Layers with High Air Stability for Electronics.Journal of the American Chemical Society, 139 40
-
E. Baerends (2017)
From the Kohn-Sham band gap to the fundamental gap in solids. An integer electron approach.Physical chemistry chemical physics : PCCP, 19 24
-
Yu Yang, Wenjun Zhu, Z. Dong, Y. Chao, Lai Xu, Meiwan Chen, Zhuang Liu (2017)
Photothermal Therapy: 1D Coordination Polymer Nanofibers for Low‐Temperature Photothermal Therapy (Adv. Mater. 40/2017)Advanced Materials, 29
-
Letian Dou (2016)
Atomically Thin Two‐Dimensional Organic‐Inorganic Hybrid Perovskites.ChemInform, 47
-
X. Cui, Gwan‐Hyoung Lee, Young Kim, Ghidewon Arefe, Pinshane Huang, Chul‐Ho Lee, Daniel Chenet, Xian Zhang, Lei Wang, Fan Ye, F. Pizzocchero, B. Jessen, Kenji Watanabe, T. Taniguchi, D. Muller, T. Low, P. Kim, J. Hone (2015)
Multi-terminal transport measurements of MoS2 using a van der Waals heterostructure device platform.Nature nanotechnology, 10 6
-
Mei Zhang, Yiming Zhu, Xinsheng Wang, Qingliang Feng, Shanlin Qiao, Wen Wen, Yanfeng Chen, Menghua Cui, Jin Zhang, C. Cai, Liming Xie (2015)
Controlled Synthesis of ZrS2 Monolayer and Few Layers on Hexagonal Boron Nitride.Journal of the American Chemical Society, 137 22
-
J. Lado, J. Fernández-Rossier (2017)
On the origin of magnetic anisotropy in two dimensional CrI32D Materials, 4
-
S. Lebègue, T. Björkman, M. Klintenberg, R. Nieminen, O. Eriksson (2013)
Two-Dimensional Materials from Data Filtering and Ab Initio CalculationsPhysical Review X, 3
-
Chengxi Huang, Yongping Du, Haiping Wu, H. Xiang, K. Deng, E. Kan (2018)
Prediction of Intrinsic Ferromagnetic Ferroelectricity in a Transition-Metal Halide Monolayer.Physical review letters, 120 14
-
Xiaomu Wang, Aaron Jones, K. Seyler, V. Tran, Yichen Jia, Huan Zhao, Han Wang, Li Yang, Xiaodong Xu, F. Xia (2014)
Highly anisotropic and robust excitons in monolayer black phosphorus.Nature nanotechnology, 10 6
-
Anubhav Jain, K. Persson, G. Ceder (2016)
Research Update: The materials genome initiative: Data sharing and the impact of collaborative ab initio databasesAPL Materials, 4
-
H. Sahin, S. Cahangirov, M. Topsakal, E. Bekaroglu, E. Aktürk, R. Senger, S. Ciraci (2009)
Monolayer honeycomb structures of group-IV elements and III-V binary compounds: First-principles calculationsBulletin of the American Physical Society
-
Elisabeth Bianco, Sheneve Butler, Shishi Jiang, O. Restrepo, W. Windl, J. Goldberger (2013)
Stability and exfoliation of germanane: a germanium graphane analogue.ACS nano, 7 5
-
D. Elias, R. Nair, T. Mohiuddin, S. Morozov, P. Blake, M. Halsall, A. Ferrari, D. Boukhvalov, M. Katsnelson, SUPARNA DUTTASINHA, K. Novoselov (2008)
Control of Graphene's Properties by Reversible Hydrogenation: Evidence for GraphaneScience, 323
-
K. Andersen, S. Latini, K. Thygesen (2015)
Dielectric Genome of van der Waals Heterostructures.Nano letters, 15 7
-
M. Ashton, J. Paul, S. Sinnott, R. Hennig (2016)
Topology-Scaling Identification of Layered Solids and Stable Exfoliated 2D Materials.Physical review letters, 118 10
-
Ganesh Bhimanapati, Zhong Lin, V. Meunier, Yeonwoong Jung, J. Cha, Saptarshi Das, Di Xiao, Y. Son, M. Strano, V. Cooper, L. Liang, S. Louie, E. Ringe, Wu Zhou, Steve Kim, R. Naik, B. Sumpter, H. Terrones, F. Xia, Yeliang Wang, Jun Zhu, D. Akinwande, N. Alem, J. Schuller, R. Schaak, M. Terrones, J. Robinson (2015)
Recent Advances in Two-Dimensional Materials beyond Graphene.ACS nano, 9 12
-
S. Ismail‐Beigi (2006)
Truncation of periodic image interactions for confined systemsPhysical Review B, 73
-
P. Larsen, J. Schiøtz, S. Schmidt (2017)
Structural Analysis Algorithms for Nanomaterials -
Matthias Drüppel, Thorsten Deilmann, P. Krüger, M. Rohlfing (2017)
Diversity of trion states and substrate effects in the optical properties of an MoS2 monolayerNature Communications, 8
-
N. Wilson, P. Nguyen, K. Seyler, P. Rivera, A. Marsden, Zachary Laker, G. Constantinescu, V. Kandyba, A. Barinov, N. Hine, Xiaodong Xu, D. Cobden (2017)
Determination of band offsets, hybridization, and exciton binding in 2D semiconductor heterostructuresScience Advances, 3
-
A MacDonald, S. Vosko, P Coleridge (1979)
Extensions of the tetrahedron method for evaluating spectral properties of solidsJournal of Physics C: Solid State Physics, 12
-
Fanfan Liu, Jie Zhou, Shuwei Wang, Bing-xin Wang, Cai Shen, Libo Wang, Qianku Hu, Qing Huang, Aiguo Zhou (2017)
Preparation of High-Purity V2C MXene and Electrochemical Properties as Li-Ion BatteriesJournal of The Electrochemical Society, 164
-
Julia Wiktor, A. Pasquarello (2016)
Absolute deformation potentials of two-dimensional materialsPhysical Review B, 94
-
K. Lejaeghere, G. Bihlmayer, T. Björkman, P. Blaha, S. Blügel, V. Blum, D. Caliste, I. Castelli, S. Clark, A. Corso, Stefano Gironcoli, T. Deutsch, J. Dewhurst, I. Marco, C. Draxl, M. Dulak, O. Eriksson, J. Flores-Livas, K. Garrity, L. Genovese, P. Giannozzi, M. Giantomassi, S. Goedecker, X. Gonze, O. Grånäs, E. Gross, A. Gulans, F. Gygi, D. Hamann, P. Hasnip, N. Holzwarth, D. Iuşan, D. Jochym, F. Jollet, Daniel Jones, G. Kresse, K. Koepernik, E. Küçükbenli, Y. Kvashnin, I. Locht, S. Lubeck, M. Marsman, N. Marzari, U. Nitzsche, L. Nordström, T. Ozaki, L. Paulatto, C. Pickard, Ward Poelmans, Matt Probert, K. Refson, M. Richter, G. Rignanese, S. Saha, M. Scheffler, M. Schlipf, K. Schwarz, Sangeeta Sharma, F. Tavazza, P. Thunström, A. Tkatchenko, M. Torrent, D. Vanderbilt, Michiel Setten, V. Speybroeck, J. Wills, J. Yates, Guo‐Xu Zhang, S. Cottenier (2016)
Reproducibility in density functional theory calculations of solidsScience, 351
-
Jun Feng, Xu Sun, Changzheng Wu, Lele Peng, Chenwen Lin, Shuanglin Hu, Jinlong Yang, Yi Xie (2011)
Metallic few-layered VS2 ultrathin nanosheets: high two-dimensional conductivity for in-plane supercapacitors.Journal of the American Chemical Society, 133 44
-
S. Ciraci, S. Cahangirov (2017)
Predictions of Single-Layer Honeycomb Structures from First Principles -
E. Ridolfi, Duy Le, T. Rahman, E. Mucciolo, C. Lewenkopf (2015)
A tight-binding model for MoS2 monolayersJournal of Physics: Condensed Matter, 27
-
J. Saal, S. Kirklin, Muratahan Aykol, B. Meredig, C. Wolverton (2013)
Materials Design and Discovery with High-Throughput Density Functional Theory: The Open Quantum Materials Database (OQMD)JOM, 65
-
M. Lukatskaya, O. Mashtalir, Chang Ren, Yohan Dall’Agnese, P. Rozier, P. Taberna, Michael Naguib, P. Simon, M. Barsoum, Y. Gogotsi (2013)
Cation Intercalation and High Volumetric Capacitance of Two-Dimensional Titanium CarbideScience, 341
-
S. Curtarolo, W. Setyawan, G. Hart, M. Jahnátek, R. Chepulskii, Richard Taylor, Shidong Wang, Junkai Xue, Kesong Yang, O. Levy, M. Mehl, H. Stokes, D. Demchenko, D. Morgan (2012)
AFLOW: An automatic framework for high-throughput materials discoveryComputational Materials Science, 58
-
Mitsuhiro Okada, Takumi Sawazaki, Kenji Watanabe, Takashi Taniguch, H. Hibino, H. Shinohara, R. Kitaura (2014)
Direct chemical vapor deposition growth of WS2 atomic layers on hexagonal boron nitride.ACS nano, 8 8
-
Hongliang Shi, H. Pan, Yong-Wei Zhang, B. Yakobson (2012)
Quasiparticle band structures and optical properties of strained monolayer MoS 2 and WS 2Physical Review B, 87
-
X. Xi, Liang Zhao, Zefang Wang, H. Berger, L. Forró, J. Shan, K. Mak (2015)
Strongly enhanced charge-density-wave order in monolayer NbSe2.Nature nanotechnology, 10 9
-
Jiadong Zhou, Jia Shi, Qingsheng Zeng, Yu Chen, Lin Niu, Fucai Liu, T. Yu, K. Suenaga, Xinfeng Liu, Junhao Lin, Zheng Liu (2018)
InSe monolayer: synthesis, structure and ultra-high second-harmonic generation2D Materials, 5
-
Z. Fei, T. Palomaki, Sanfeng Wu, Wenjin Zhao, Xinghan Cai, Bosong Sun, P. Nguyen, J. Finney, Xiaodong Xu, D. Cobden (2016)
Edge conduction in monolayer WTe2Nature Physics, 13
-
A. Ramasubramaniam (2012)
Large excitonic effects in monolayers of molybdenum and tungsten dichalcogenidesPhysical Review B, 86
-
H. Hill, A. Rigosi, K. Rim, G. Flynn, T. Heinz (2016)
Band Alignment in MoS2/WS2 Transition Metal Dichalcogenide Heterostructures Probed by Scanning Tunneling Microscopy and Spectroscopy.Nano letters, 16 8
-
Beatriz Cordero, V. Gómez, Ana Platero‐Prats, M. Reves, J. Echeverría, E. Cremades, F. Barragán, S. Alvarez (2008)
Covalent radii revisited.Dalton transactions, 21
-
K. Andersen, K. Thygesen (2013)
Plasmons in metallic monolayer and bilayer transition metal dichalcogenidesPhysical Review B, 88
-
L. Ci, Li Song, C. Jin, D. Jariwala, D. Jariwala, Dang Wu, Yongjie Li, Yongjie Li, A. Srivastava, A. Srivastava, Zhengfei Wang, K. Storr, L. Balicas, Feng Liu, P. Ajayan (2010)
Atomic layers of hybridized boron nitride and graphene domains.Nature materials, 9 5
-
M. Ugeda, Aaron Bradley, Sufei Shi, Felipe Jornada, Yi Zhang, D. Qiu, W. Ruan, S. Mo, Z. Hussain, Z. Shen, Feng Wang, S. Louie, M. Crommie (2014)
Giant bandgap renormalization and excitonic effects in a monolayer transition metal dichalcogenide semiconductor.Nature materials, 13 12
-
F. Huser, T. Olsen, K. Thygesen (2013)
How dielectric screening in two-dimensional crystals affects the convergence of excited-state calculations: Monolayer MoS2Physical Review B, 88
-
C. Walle, Richard Martin (1989)
"Absolute" deformation potentials: Formulation and ab initio calculations for semiconductors.Physical review letters, 62 17
-
S. Mouri, Wenjin Zhang, D. Kozawa, Y. Miyauchi, G. Eda, K. Matsuda (2017)
Supplementary Information for Thermal Dissociation of Interlayer Excitons in MoS 2 / MoSe 2 Hetero-bilayers -
M. Dávila, L. Xian, S. Cahangirov, Á. Rubio, G. Lay (2014)
Germanene: a novel two-dimensional germanium allotrope akin to graphene and siliceneNew Journal of Physics, 16
-
Hiram Conley, Bin Wang, Jed Ziegler, R. Haglund, S. Pantelides, K. Bolotin (2013)
Bandgap engineering of strained monolayer and bilayer MoS2.Nano letters, 13 8
-
Zeyu Jiang, Zhirong Liu, Yuanchang Li, W. Duan (2017)
Scaling Universality between Band Gap and Exciton Binding Energy of Two-Dimensional Semiconductors.Physical review letters, 118 26
-
Cheng Gong, Lin Li, Zhenglu Li, Huiwen Ji, Alex Stern, Yang Xia, Ting Cao, Wei Bao, Chenzhe Wang, Yuang Wang, Ziqiang Qiu, R. Cava, S. Louie, Jing Xia, Xiang Zhang (2017)
Discovery of intrinsic ferromagnetism in two-dimensional van der Waals crystalsNature, 546
-
T. Olsen, S. Latini, Filip Rasmussen, K. Thygesen (2015)
Simple Screened Hydrogen Model of Excitons in Two-Dimensional Materials.Physical review letters, 116 5
-
P. Avouris, T. Heinz, T. Low (2017)
2D materials: Properties and devices -
F. Ceballos, Matthew Bellus, Hsin-Ying Chiu, Hui Zhao (2015)
Probing charge transfer excitons in a MoSe2-WS2 van der Waals heterostructure.Nanoscale, 7 41
-
D. Alfé (2009)
PHON: A program to calculate phonons using the small displacement methodComput. Phys. Commun., 180
-
Guangbo Liu, Zhonghua Li, T. Hasan, Xiaoshuang Chen, Wei Zheng, W. Feng, D. Jia, Yu Zhou, P. Hu (2017)
Vertically aligned two-dimensional SnS2 nanosheets with a strong photon capturing capability for efficient photoelectrochemical water splittingJournal of Materials Chemistry, 5
-
K. Mak, Changgu Lee, J. Hone, J. Shan, T. Heinz (2010)
Atomically thin MoS₂: a new direct-gap semiconductor.Physical review letters, 105 13
-
Ang-Yu Lu, Hanyu Zhu, Jun Xiao, Chih-Piao Chuu, Yimo Han, Ming-Hui Chiu, Chia-Chin Cheng, Chi-Wen Yang, K. Wei, Yiming Yang, Y. Wang, D. Sokaras, D. Nordlund, P. Yang, D. Muller, M. Chou, Xiang Zhang, Lain‐Jong Li (2017)
Janus monolayers of transition metal dichalcogenides.Nature nanotechnology, 12 8
-
J. Heyd, G. Scuseria, M. Ernzerhof (2003)
Hybrid functionals based on a screened Coulomb potentialJournal of Chemical Physics, 118
-
Korina Kuhar, A. Crovetto, Mohnish Pandey, K. Thygesen, B. Seger, P. Vesborg, O. Hansen, I. Chorkendorff, K. Jacobsen (2017)
Sulfide perovskites for solar energy conversion applications: computational screening and synthesis of the selected compound LaYS3Energy and Environmental Science, 10
-
C. Rozzi, D. Varsano, A. Marini, E. Gross, Á. Rubio (2006)
Exact coulomb cutoff technique for supercell calculationsPhysical Review B, 73
-
Logan Ward, C. Wolverton (2017)
Atomistic calculations and materials informatics: A reviewCurrent Opinion in Solid State & Materials Science, 21
-
Mohnish Pandey, K. Jacobsen (2015)
Heats of formation of solids with error estimation: The mBEEF functional with and without fitted reference energiesPhysical Review B, 91
-
M. Gjerding, Mohnish Pandey, K. Thygesen (2017)
Band structure engineered layered metals for low-loss plasmonicsNature Communications, 8
-
Kai Xu, Zhenxing Wang, Feng Wang, Yun Huang, Fengmei Wang, Lei Yin, Chao Jiang, Jun He (2015)
Ultrasensitive Phototransistors Based on Few‐Layered HfS2Advanced Materials, 27
-
C. Song, Yilin Wang, Ye-Ping Jiang, Z. Li, Lili Wang, K. He, Xi Chen, Xucun Ma, Q. Xue (2011)
Molecular-beam epitaxy and robust superconductivity of stoichiometric FeSe crystalline films on bilayer graphenePhysical Review B, 84
-
Luqing Wang, A. Kutana, Xiaolong Zou, B. Yakobson (2015)
Electro-mechanical anisotropy of phosphorene.Nanoscale, 7 21
-
Siwei Yang, Wei Li, C. Ye, Gang Wang, He Tian, Chong Zhu, P. He, Guqiao Ding, Xiaoming Xie, Yang Liu, Y. Lifshitz, Shuitong Lee, Zhenhui Kang, M. Jiang (2017)
C3N—A 2D Crystalline, Hole‐Free, Tunable‐Narrow‐Bandgap Semiconductor with Ferromagnetic PropertiesAdvanced Materials, 29
-
R. Sundararaman, T. Arias (2013)
Regularization of the Coulomb singularity in exact exchange by Wigner-Seitz truncated interactions: Towards chemical accuracy in nontrivial systemsPhysical Review B, 87
-
P. Miró, Martha Audiffred, T. Heine (2014)
An atlas of two-dimensional materials.Chemical Society reviews, 43 18
-
Carl Naylor, W. Parkin, Jinglei Ping, Zhaoli Gao, Y. Zhou, Youngkuk Kim, F. Streller, R. Carpick, A. Rappe, M. Drndić, J. Kikkawa, A. Johnson (2016)
Monolayer Single-Crystal 1T'-MoTe2 Grown by Chemical Vapor Deposition Exhibits Weak Antilocalization Effect.Nano letters, 16 7
-
Jivr'i Klimevs, Merzuk Kaltak, G. Kresse (2014)
Predictive GW calculations using plane waves and pseudopotentialsPhysical Review B, 90
-
M. Tiago, S. Ismail‐Beigi, S. Louie (2003)
Effect of semicore orbitals on the electronic band gaps of Si, Ge, and GaAs within the GW approximationPhysical Review B, 69
-
A. Molle, J. Goldberger, M. Houssa, Yong Xu, Shoucheng Zhang, D. Akinwande (2017)
Buckled two-dimensional Xene sheets.Nature materials, 16 2
-
T. Sander, Emanuele Maggio, G. Kresse (2015)
Beyond the Tamm-Dancoff approximation for extended systems using exact diagonalizationPhysical Review B, 92
-
Anubhav Jain, S. Ong, G. Hautier, Wei Chen, W. Richards, S. Dacek, S. Cholia, D. Gunter, D. Skinner, G. Ceder, K. Persson (2013)
Commentary: The Materials Project: A materials genome approach to accelerating materials innovationAPL Materials, 1
-
K. Ko'smider, J. Fern'andez-Rossier (2012)
Electronic properties of the MoS 2 -WS 2 heterojunctionPhysical Review B, 87
-
Jaekwang Lee, Jingsong Huang, B. Sumpter, M. Yoon (2015)
Strain-engineered optoelectronic properties of 2D transition metal dichalcogenide lateral heterostructures2D Materials, 4
-
Qing Wang, K. Kalantar-zadeh, A. Kis, J. Coleman, M. Strano (2012)
Electronics and optoelectronics of two-dimensional transition metal dichalcogenides.Nature nanotechnology, 7 11
-
P. Tonndorf, R. Schmidt, Philipp Böttger, Xiao Zhang, Janna Börner, Andreas Liebig, Manfred Albrecht, Christian Kloc, O. Gordan, Dietrich Zahn, S. Vasconcellos, R. Bratschitsch (2013)
Photoluminescence emission and Raman response of monolayer MoS₂, MoSe₂, and WSe₂.Optics express, 21 4
-
Jun Kang, S. Tongay, Jian Zhou, Jingbo Li, Junqiao Wu (2013)
Band offsets and heterostructures of two-dimensional semiconductorsApplied Physics Letters, 102
-
S. Takagi, A. Toriumi, M. Iwase, H. Tango (1994)
On the universality of inversion layer mobility in Si MOSFET's: Part I-effects of substrate impurity concentrationIEEE Transactions on Electron Devices, 41
-
P. Cudazzo, I. Tokatly, Á. Rubio (2011)
Dielectric screening in two-dimensional insulators: Implications for excitonic and impurity states in graphanePhysical Review B, 84
-
G. Tritsaris, S. Shirodkar, E. Kaxiras, Paul Cazeaux, M. Luskin, P. Plecháč, É. Cancès (2016)
Perturbation theory for weakly coupled two-dimensional layersJournal of Materials Research, 31
-
C. Wan, Xiaokun Gu, Feng Dang, T. Itoh, Yifeng Wang, H. Sasaki, M. Kondo, K. Koga, K. Yabuki, G. Snyder, Ronggui Yang, K. Koumoto (2015)
Flexible n-type thermoelectric materials by organic intercalation of layered transition metal dichalcogenide TiS2.Nature materials, 14 6
-
V. Stevanović, Xiuwen Zhang, S. Lany, A. Zunger (2012)
Correcting Density Functional Theory for Accurate Predictions of Compound Enthalpies of Formation:Fitted elemental-phase Reference Energies (FERE)Bulletin of the American Physical Society
-
M. Hybertsen, S. Louie (1987)
Ab initio static dielectric matrices from the density-functional approach. I. Formulation and application to semiconductors and insulators.Physical review. B, Condensed matter, 35 11
-
M. Shishkin, M. Marsman, G. Kresse (2007)
Accurate quasiparticle spectra from self-consistent GW calculations with vertex corrections.Physical review letters, 99 24
-
K. Novoselov, SUPARNA DUTTASINHA, S. Morozov, D. Jiang, Y. Zhang, S. Dubonos, I. Grigorieva, A. Firsov (2004)
Electric Field Effect in Atomically Thin Carbon FilmsScience, 306
-
J. Island, M. Buscema, Mariam Barawi, J. Clamagirand, J. Ares, C. S'anchez, I. Ferrer, G. Steele, H. Zant, A. Castellanos-Gomez (2014)
Ultrahigh Photoresponse of Few‐Layer TiS3 Nanoribbon TransistorsAdvanced Optical Materials, 2
-
Yeliang Wang, Linfei Li, Wei Yao, Shiru Song, Jianfei Sun, Jinbo Pan, X. Ren, Chen Li, E. Okunishi, Yu‐qi Wang, E. Wang, Y. Shao, Yu‐yang Zhang, Yu‐yang Zhang, Yu‐yang Zhang, Hai-tao Yang, E. Schwier, H. Iwasawa, K. Shimada, M. Taniguchi, Zhaohua Cheng, Shuyun Zhou, S. Du, S. Pennycook, S. Pantelides, S. Pantelides, Hong-jun Gao (2015)
Monolayer PtSe₂, a New Semiconducting Transition-Metal-Dichalcogenide, Epitaxially Grown by Direct Selenization of Pt.Nano letters, 15 6
-
Shi-Hsin Lin, J. Kuo (2014)
Towards the ionic limit of two-dimensional materials: monolayer alkaline earth and transition metal halides.Physical chemistry chemical physics : PCCP, 16 38
-
Ask Larsen, Jens Mortensen, J. Blomqvist, I. Castelli, R. Christensen, M. Dulak, J. Friis, M. Groves, B. Hammer, Cory Hargus, E. Hermes, P. Jennings, Peter Jensen, J. Kermode, J. Kitchin, Esben Kolsbjerg, J. Kubal, K. Kaasbjerg, S. Lysgaard, Jón Maronsson, Tristan Maxson, T. Olsen, L. Pastewka, Andrew Peterson, C. Rostgaard, J. Schiøtz, O. Schütt, M. Strange, K. Thygesen, T. Vegge, L. Vilhelmsen, M. Walter, Z. Zeng, K. Jacobsen (2017)
The atomic simulation environment-a Python library for working with atoms.Journal of physics. Condensed matter : an Institute of Physics journal, 29 27
-
Jia Li, Xun Guan, Chen Wang, Hung-Chieh Cheng, Ruoqi Ai, Kangkang Yao, Peng Chen, Zhengwei Zhang, Xidong Duan, X. Duan (2017)
Synthesis of 2D Layered BiI3 Nanoplates, BiI3 /WSe2 van der Waals Heterostructures and Their Electronic, Optoelectronic Properties.Small, 13 38
-
Resta, Colombo, Baroni (1990)
Absolute deformation potentials in semiconductors.Physical review. B, Condensed matter, 41 17
-
S. Latini, T. Olsen, K. Thygesen (2015)
Excitons in van der Waals heterostructures: The important role of dielectric screeningPhysical Review B, 92
-
A. Korm'anyos, G. Burkard, M. Gmitra, J. Fabian, V. Z'olyomi, N. Drummond, V. Fal’ko (2014)
k·p theory for two-dimensional transition metal dichalcogenide semiconductors2D Materials, 2
-
H. Komsa, A. Krasheninnikov (2012)
Effects of confinement and environment on the electronic structure and exciton binding energy of MoS2 from first principlesPhysical Review B, 86
-
Wenwen Zhao, Bohua Dong, Zenglong Guo, G. Su, Rongjie Gao, Wei Wang, Li-xin Cao (2016)
Colloidal synthesis of VSe2 single-layer nanosheets as novel electrocatalysts for the hydrogen evolution reaction.Chemical communications, 52 59
-
L. Ghiringhelli, J. Vybíral, S. Levchenko, C. Draxl, M. Scheffler (2014)
Big data of materials science: critical role of the descriptor.Physical review letters, 114 10
-
S. Mouri, Wenjin Zhang, D. Kozawa, Y. Miyauchi, G. Eda, K. Matsuda (2017)
Thermal dissociation of inter-layer excitons in MoS2/MoSe2 hetero-bilayers.Nanoscale, 9 20
-
N. Mermin, H. Wagner (1966)
Absence of Ferromagnetism or Antiferromagnetism in One- or Two-Dimensional Isotropic Heisenberg ModelsPhysical Review Letters, 17
-
H. Felipe, Y. Diana, G. Steven (2017)
Nonuniform sampling schemes of the Brillouin zone for many-electron perturbation-theory calculations in reduced dimensionalityPhysical Review B, 95
-
Yubing Zhou, Y. Nie, Yujing Liu, Kai Yan, Jinhua Hong, C. Jin, Yu Zhou, Jianbo Yin, Zhongfan Liu, H. Peng (2014)
Epitaxy and photoresponse of two-dimensional GaSe crystals on flexible transparent mica sheets.ACS nano, 8 2
-
P. Hu, Zhenzhong Wen, Lifeng Wang, P. Tan, Kai Xiao (2012)
Synthesis of few-layer GaSe nanosheets for high performance photodetectors.ACS nano, 6 7
-
Junki Sone, Tsuyoshi Yamagami, Y. Aoki, K. Nakatsuji, H. Hirayama (2014)
Epitaxial growth of silicene on ultra-thin Ag(111) filmsNew Journal of Physics, 16
-
R. Nair, W. Ren, R. Jalil, I. Riaz, V. Kravets, L. Britnell, P. Blake, F. Schedin, A. Mayorov, S. Yuan, M. Katsnelson, Hui‐Ming Cheng, W. Strupinski, L. Bulusheva, A. Okotrub, I. Grigorieva, A. Grigorenko, K. Novoselov, SUPARNA DUTTASINHA (2010)
Fluorographene: a two-dimensional counterpart of Teflon.Small, 6 24
-
Hui Fang, C. Battaglia, C. Carraro, S. Nemšák, B. Ozdol, Jeong Kang, H. Bechtel, S. Desai, F. Kronast, A. Unal, G. Conti, C. Conlon, G. Pálsson, Michael Martin, A. Minor, C. Fadley, E. Yablonovitch, R. Maboudian, A. Javey (2014)
Strong interlayer coupling in van der Waals heterostructures built from single-layer chalcogenidesProceedings of the National Academy of Sciences, 111
-
Gowoon Cheon, Karel-Alexander Duerloo, Austin Sendek, Chase Porter, Yuan Chen, E. Reed (2017)
Data Mining for New Two- and One-Dimensional Weakly Bonded Solids and Lattice-Commensurate Heterostructures.Nano letters, 17 3
-
Desheng Kong, W. Dang, J. Cha, Hui Li, S. Meister, H. Peng, Zhongfan Liu, Yi Cui (2010)
Few-layer nanoplates of Bi 2 Se 3 and Bi 2 Te 3 with highly tunable chemical potential.Nano letters, 10 6
-
I. Castelli, T. Olsen, S. Datta, D. Landis, S. Dahl, K. Thygesen, K. Jacobsen (2012)
Computational screening of perovskite metal oxides for optimal solar light captureEnergy and Environmental Science, 5
-
O. Pozo-Zamudio, S. Schwarz, M. Sich, I. Akimov, Manfred Bayer, R. Schofield, E. Chekhovich, Benjamin Robinson, N. Kay, Oleg Kolosov, Alexander Dmitriev, G. Lashkarev, D. Borisenko, N. Kolesnikov, A. Tartakovskii (2015)
Photoluminescence of two-dimensional GaTe and GaSe films2D Materials, 2
-
T. Olsen (2016)
Designing in-plane heterostructures of quantum spin Hall insulators from first principles: 1T'-MoS2 with adsorbatesPhysical Review B, 94
-
T. Olsen (2017)
Assessing the performance of the random phase approximation for exchange and superexchange coupling constants in magnetic crystalline solidsPhysical Review B, 96
-
F. Huser, T. Olsen, K. Thygesen (2013)
Quasiparticle GW calculations for solids, molecules, and two-dimensional materialsPhysical Review B, 87
-
Y. Shao, Shiru Song, Xu Wu, Jing Qi, Hongliang Lu, Chen Liu, Shiyu Zhu, Zhong‐Liu Liu, Jiaou Wang, D. Shi, S. Du, Yeliang Wang, Hongjun Gao (2017)
Epitaxial fabrication of two-dimensional NiSe2 on Ni(111) substrateApplied Physics Letters, 111
-
Chunming Huang, Sanfeng Wu, A. Sánchez, J. Peters, R. Beanland, J. Ross, P. Rivera, W. Yao, D. Cobden, Xiaodong Xu (2014)
Lateral heterojunctions within monolayer MoSe2-WSe2 semiconductors.Nature materials, 13 12
-
Hailong Chen, Xiewen Wen, Jing Zhang, Tianmin Wu, Y. Gong, Xiang Zhang, Jiangtan Yuan, Chongyue Yi, J. Lou, P. Ajayan, Zhuang Wei, Guangyu Zhang, Junrong Zheng (2016)
Ultrafast formation of interlayer hot excitons in atomically thin MoS2/WS2 heterostructuresNature Communications, 7
-
Zhenghe Jin, Xiaodong Li, J. Mullen, K. Kim (2014)
Intrinsic transport properties of electrons and holes in monolayer transition-metal dichalcogenidesPhysical Review B, 90
-
Lili Cai, C. McClellan, A. Koh, Hong Li, E. Yalon, E. Pop, Xiaolin Zheng (2017)
Rapid Flame Synthesis of Atomically Thin MoO3 down to Monolayer Thickness for Effective Hole Doping of WSe2.Nano letters, 17 6
-
Z. Seh, Kurt Fredrickson, B. Anasori, J. Kibsgaard, Alaina Strickler, M. Lukatskaya, Y. Gogotsi, T. Jaramillo, A. Vojvodić (2016)
Two-Dimensional Molybdenum Carbide (MXene) as an Efficient Electrocatalyst for Hydrogen EvolutionACS energy letters, 1
-
V. Özçelik, Javad Azadani, Ce Yang, S. Koester, T. Low (2016)
Band Alignment of 2D Semiconductors for Designing Heterostructures with Momentum Space MatchingPhysical Review B, 94
-
Y. Zhou, L. Miao, P. Wang, F. Zhu, W. Jiang, S. Jiang, Y. Zhang, B. Lei, X. Chen, H. Ding, Hao Zheng, W. Zhang, J. Jia, D. Qian, D. Wu (2016)
Antiferromagnetic Order in Epitaxial FeSe Films on SrTiO_{3}.Physical review letters, 120 9
-
Xinsheng Wang, Junhao Lin, Yiming Zhu, Chen Luo, K. Suenaga, C. Cai, Liming Xie (2017)
Chemical vapor deposition of trigonal prismatic NbS2 monolayers and 3R-polytype few-layers.Nanoscale, 9 43
-
M. Gjerding, R. Petersen, T. Pedersen, N. Mortensen, N. Mortensen, K. Thygesen (2017)
Layered van der Waals crystals with hyperbolic light dispersionNature Communications, 8
-
A. Mostofi, J. Yates, Young-Su Lee, Ivo Souza, D. Vanderbilt, N. Marzari (2007)
wannier90: A tool for obtaining maximally-localised Wannier functionsComput. Phys. Commun., 178
-
Ying Wang, Jun Xiao, Hanyu Zhu, Yao Li, Yousif Alsaid, K. Fong, Yao Zhou, Siqi Wang, Wu Shi, Yuang Wang, A. Zettl, E. Reed, Xiang Zhang (2017)
Structural phase transition in monolayer MoTe2 driven by electrostatic dopingNature, 550
-
Yuda Zhao, Jingsi Qiao, Peng Yu, Zhixin Hu, Ziyuan Lin, S. Lau, Zheng Liu, W. Ji, Y. Chai (2016)
Extraordinarily Strong Interlayer Interaction in 2D Layered PtS2Advanced Materials, 28
-
T. Cheiwchanchamnangij, W. Lambrecht (2012)
Quasiparticle band structure calculation of monolayer, bilayer, and bulk MoS 2Physical Review B, 85
-
C. Ataca, H. Sahin, S. Ciraci (2012)
Stable, Single-Layer MX2 Transition-Metal Oxides and Dichalcogenides in a Honeycomb-Like StructureJournal of Physical Chemistry C, 116
-
S. Kirklin, J. Saal, B. Meredig, A. Thompson, J. Doak, Muratahan Aykol, S. Ruhl, C. Wolverton (2015)
The Open Quantum Materials Database (OQMD): assessing the accuracy of DFT formation energies, 1
-
M. Kuisma, J. Ojanen, J. Enkovaara, T. Rantala (2010)
Kohn-Sham potential with discontinuity for band gap materialsPhysical Review B, 82
-
M. Taherinejad, K. Garrity, D. Vanderbilt (2013)
Wannier center sheets in topological insulatorsPhysical Review B, 89
-
Shuigang Xu, Yu Han, Xiaolong Chen, Zefei Wu, Lin Wang, T. Han, Weiguang Ye, Huanhuan Lu, G. Long, Yingying Wu, Jiangxiazi Lin, Y. Cai, K. Ho, Yuheng He, Ning Wang (2015)
van der Waals epitaxial growth of atomically thin Bi₂Se₃ and thickness-dependent topological phase transition.Nano letters, 15 4
-
O. Mashtalir, M. Lukatskaya, Meng-qiang Zhao, M. Barsoum, Y. Gogotsi (2015)
Amine‐Assisted Delamination of Nb2C MXene for Li‐Ion Energy Storage DevicesAdvanced Materials, 27
-
Jun Yan, J. Mortensen, K. Jacobsen, K. Thygesen (2011)
Linear density response function in the projector augmented wave method: Applications to solids, surfaces, and interfacesPhysical Review B, 83
-
N. Mounet, M. Gibertini, P. Schwaller, D. Campi, Andrius Merkys, Antimo Marrazzo, T. Sohier, I. Castelli, Andrea Cepellotti, G. Pizzi, N. Marzari (2016)
Two-dimensional materials from high-throughput computational exfoliation of experimentally known compoundsNature Nanotechnology, 13
-
G. Hautier, C. Fischer, Anubhav Jain, Tim Mueller, G. Ceder (2010)
Finding Nature’s Missing Ternary Oxide Compounds Using Machine Learning and Density Functional TheoryChemistry of Materials, 22
-
Filip Rasmussen, K. Thygesen (2015)
Computational 2D Materials Database: Electronic Structure of Transition-Metal Dichalcogenides and OxidesJournal of Physical Chemistry C, 119
-
R. Kappera, D. Voiry, S. Yalcin, B. Branch, Gautam Gupta, A. Mohite, M. Chhowalla (2014)
Phase-engineered low-resistance contacts for ultrathin MoS2 transistors.Nature materials, 13 12
-
Jin-Ho Choi, P. Cui, Haiping Lan, Zhenyu Zhang (2015)
Linear Scaling of the Exciton Binding Energy versus the Band Gap of Two-Dimensional Materials.Physical review letters, 115 6
-
Xindong Wang, Ding-sheng Wang, R. Wu, A. Freeman (1996)
Validity of the force theorem for magnetocrystalline anisotropyJournal of Magnetism and Magnetic Materials, 159
-
K. Thygesen, K. Jacobsen (2016)
Making the most of materials computationsScience, 354
-
S. Tongay, S. Tongay, H. Sahin, C. Ko, A. Luce, W. Fan, W. Fan, Kai Liu, Jian Zhou, Jian Zhou, Ying-Sheng Huang, C. Ho, Jinyuan Yan, D. Ogletree, S. Aloni, J. Ji, Shushen Li, Jingbo Li, F. Peeters, Junqiao Wu, Junqiao Wu, Junqiao Wu (2014)
Monolayer behaviour in bulk ReS2 due to electronic and vibrational decouplingNature Communications, 5
-
Bevin Huang, Genevieve Clark, E. Navarro-Moratalla, Dahlia Klein, R. Cheng, K. Seyler, Ding Zhong, E. Schmidgall, M. McGuire, D. Cobden, W. Yao, Di Xiao, P. Jarillo-Herrero, Xiaodong Xu (2017)
Layer-dependent ferromagnetism in a van der Waals crystal down to the monolayer limitNature, 546
-
A. Chernikov, Timothy Berkelbach, H. Hill, A. Rigosi, Yilei Li, O. Aslan, D. Reichman, M. Hybertsen, T. Heinz (2014)
Exciton binding energy and nonhydrogenic Rydberg series in monolayer WS(2).Physical review letters, 113 7
-
V. Anisimov, O. Gunnarsson (1991)
Density-functional calculation of effective Coulomb interactions in metals.Physical review. B, Condensed matter, 43 10
-
H. Ryu, Yi Chen, Heejung Kim, H. Tsai, Shujie Tang, Juan Jiang, Franklin Liou, S. Kahn, C. Jia, A. Omrani, J. Shim, Z. Hussain, Z. Shen, Kyoo Kim, B. Min, C. Hwang, M. Crommie, S. Mo (2018)
Persistent Charge-Density-Wave Order in Single-Layer TaSe2.Nano letters, 18 2
-
A. Ferrari, F. Bonaccorso, V. Fal’ko, K. Novoselov, S. Roche, P. Bøggild, S. Borini, F. Koppens, V. Palermo, N. Pugno, J. Garrido, R. Sordan, A. Bianco, L. Ballerini, M. Prato, E. Lidorikis, J. Kivioja, C. Marinelli, T. Ryhänen, A. Morpurgo, J. Coleman, V. Nicolosi, L. Colombo, A. Fert, M. García-Hernández, A. Bachtold, G. Schneider, F. Guinea, C. Dekker, M. Barbone, Zhipei Sun, C. Galiotis, A. Grigorenko, G. Konstantatos, A. Kis, M. Katsnelson, L. Vandersypen, Annick Loiseau, V. Morandi, D. Neumaier, E. Treossi, V. Pellegrini, M. Polini, A. Tredicucci, Gareth Williams, B. Hong, Jong-Hyun Ahn, Jong Kim, H. Zirath, B. Wees, H. Zant, L. Occhipinti, A. Matteo, I. Kinloch, T. Seyller, E. Quesnel, Xinliang Feng, K. Teo, N. Rupesinghe, P. Hakonen, Simon Neil, Quentin Tannock, T. Löfwander, J. Kinaret (2015)
Science and technology roadmap for graphene, related two-dimensional crystals, and hybrid systems.Nanoscale, 7 11
-
A. Klots, A. Newaz, A. Newaz, Bin Wang, Bin Wang, Dhiraj Prasai, H. Krzyżanowska, Junhao Lin, Junhao Lin, D. Caudel, N. Ghimire, N. Ghimire, Jiaqiang Yan, Jiaqiang Yan, B. Ivanov, K. Velizhanin, A. Burger, D. Mandrus, D. Mandrus, N. Tolk, S. Pantelides, S. Pantelides, K. Bolotin (2014)
Probing excitonic states in suspended two-dimensional semiconductors by photocurrent spectroscopyScientific Reports, 4
- Copyright
- Copyright © 2018 IOP Publishing Ltd
- eISSN
- 2053-1583
- DOI
- 10.1088/2053-1583/aacfc1
- Publisher site
- See Article on Publisher Site
Abstract
We introduce the Computational 2D Materials Database (C2DB), which organises a variety of structural, thermodynamic, elastic, electronic, magnetic, and optical properties of around 1500 two-dimensional materials distributed over more than 30 different crystal structures. Material properties are systematically calculated by state-of-the-art density functional theory and many-body perturbation theory ( and the Bethe–Salpeter equation for ∼250 materials) following a semi-automated workflow for maximal consistency and transparency. The C2DB is fully open and can be browsed online (http://c2db.fysik.dtu.dk) or downloaded in its entirety. In this paper, we describe the workflow behind the database, present an overview of the properties and materials currently available, and explore trends and correlations in the data. Moreover, we identify a large number of new potentially synthesisable 2D materials with interesting properties targeting applications within spintronics, (opto-)electronics, and plasmonics. The C2DB offers a comprehensive and easily accessible overview of the rapidly expanding family of 2D materials and forms an ideal platform for computational modeling and design of new 2D materials and van der Waals heterostructures.
Journal
2D Materials – IOP Publishing
Published: Oct 1, 2018