From ultrasoft pseudopotentials to the projector augmented-wave method

Cited by (1,098)

Items 101–200 of 1,098

1. Oxygen vacancies in transition metal and rare earth oxides: Current state of understanding and remaining challenges
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2. Recent developments in the P <scp>y</scp> SCF program package
   Sun, Qiming, Zhang, Xing, Banerjee, Samragni, Bao, Peng, Barbry, Marc, Blunt, Nick S., Bogdanov, Nikolay A., Booth, George H., Chen, Jia, Cui, Zhi-Hao et al. · 2020 · The Journal of Chemical Physics
3. Assessment of correction methods for the band-gap problem and for finite-size effects in supercell defect calculations: Case studies for ZnO and GaAs
   Stephan Lany, Alex Zunger · 2008 · Physical Review B
4. Unlocking the Potential of Cation-Disordered Oxides for Rechargeable Lithium Batteries
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5. Water-evaporation-induced electricity with nanostructured carbon materials
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6. Near-unity photoluminescence quantum yield in MoS 2
   Matin Amani, Der‐Hsien Lien, Daisuke Kiriya, Jun Xiao, Angelica Azcatl, Ji-Young Noh, Surabhi Rao Madhvapathy, Rafik Addou, Santosh KC, Madan Dubey et al. · 2015 · Science
7. Tunable Electrical Conductivity in Metal-Organic Framework Thin-Film Devices
   Albert Alec Talin, Andrea Centrone, Alexandra C. Ford, Michael E. Foster, Vitalie Stavila, Paul M. Haney, R. Adam Kinney, Veronika A. Szalai, Farid El Gabaly, Heayoung P. Yoon et al. · 2013 · Science
8. First-principles study of the interaction and charge transfer between graphene and metals
   Petr A. Khomyakov, Gianluca Giovannetti, P.C. Rusu, Geert Brocks, Jeroen van den Brink, Paul J. Kelly · 2009 · Physical Review B
9. Engineering the electronic structure of single atom Ru sites via compressive strain boosts acidic water oxidation electrocatalysis
   Yancai Yao, Sulei Hu, Wenxing Chen, Zheng‐Qing Huang, Wei-Chen Wei, Tao Yao, Ruirui Liu, Ketao Zang, Xiaoqian Wang, Geng Wu et al. · 2019 · Nature Catalysis
10. Activity origin and catalyst design principles for electrocatalytic hydrogen evolution on heteroatom-doped graphene
    Jiao, Yan, Zheng, Yao, Davey, Kenneth, Qiao, Shi-Zhang · 2016 · Nature Energy
11. Ultrastable silver nanoparticles
    Anil Desireddy, Brian E. Conn, Jingshu Guo et al. · 2013 · Nature
12. Efficient conversion of low-concentration nitrate sources into ammonia on a Ru-dispersed Cu nanowire electrocatalyst
    Feng-Yang Chen, Zhenyu Wu, Srishti Gupta, Daniel J. Rivera, Sten Lambeets, Stephanie Pecaut, Jung Yoon Kim, Peng Zhu, Y. Zou Finfrock, Debora Motta Meira et al. · 2022 · Nature Nanotechnology
13. Pressure-induced metallization of dense (H2S)2H2 with high-Tc superconductivity
    Defang Duan, Yunxian Liu, Fubo Tian, Da Li, Xiaoli Huang, Zhonglong Zhao, Hongyu Yu, Bingbing Liu, Wenjing Tian, Tian Shu Cui · 2014 · Scientific Reports
14. Matching the kinetics of natural enzymes with a single-atom iron nanozyme
    Shufang Ji, Bing Jiang, Haigang Hao, Yuanjun Chen, Juncai Dong, Yu Mao, Zedong Zhang, Rui Gao, Wenxing Chen, Ruofei Zhang et al. · 2021 · Nature Catalysis
15. High-performance bifunctional porous non-noble metal phosphide catalyst for overall water splitting
    Yu Fang, Haiqing Zhou, Yufeng Huang, Jingying Sun, Fan Qin, Jiming Bao, William A. Goddard, Shuo Chen, Zhifeng Ren · 2018 · Nature Communications
16. Lead-free germanium iodide perovskite materials for photovoltaic applications
    Krishnamoorthy Thirumal, Hong Q. Ding, Yan Chen, Wei Lin Leong, Tom Baikie, Ziyi Zhang, Matthew Sherburne, Shuzhou Li, Mark Asta, Nripan Mathews et al. · 2015 · Journal of Materials Chemistry A
17. Cation and anion immobilization through chemical bonding enhancement with fluorides for stable halide perovskite solar cells
    Nengxu Li, Shuxia Tao, Yihua Chen, Xiuxiu Niu, Chidozie K. Onwudinanti, Chen Hu, Zhiwen Qiu, Ziqi Xu, Guanhaojie Zheng, Ligang Wang et al. · 2019 · Nature Energy
18. Unsupervised word embeddings capture latent knowledge from materials science literature
    Tshitoyan, Vahe, Dagdelen, John, Weston, Leigh, Dunn, Alexander, Rong, Ziqin, Kononova, Olga, Persson, Kristin A., Ceder, Gerbrand, Jain, Anubhav · 2019 · Nature
19. A generalized solid-state nudged elastic band method
    Daniel Sheppard, Penghao Xiao, William D. Chemelewski, Duane D. Johnson, Graeme Henkelman · 2012 · The Journal of Chemical Physics
20. Prediction and observation of an antiferromagnetic topological insulator
    Mikhail M. Otrokov, Ilya I. Klimovskikh, Hendrik Bentmann, Dmitry A. Estyunin, A. Zeugner, Ziya Saxaveddin Aliev, S. Gaß, Anja U. B. Wolter, A. V. Koroleva, Alexander M. Shikin et al. · 2019 · Nature
21. van der Waals Bonding in Layered Compounds from Advanced Density-Functional First-Principles Calculations
    Torbjörn Björkman, Andris Guļāns, Arkady V. Krasheninnikov, R. M. Nieminen · 2012 · Physical Review Letters
22. Bridging the g-C 3 N 4 Interlayers for Enhanced Photocatalysis
    Ting Xiong, Wanglai Cen, Yuxin Zhang, Fan Dong · 2016 · ACS Catalysis
23. Chemical vapor deposition of layered two-dimensional MoSi 2 N 4 materials
    Yilun Hong, Zhibo Liu, Lei Wang, Tianya Zhou, Wei Ma, Chuan Xu, Shun Feng, Long Chen, Maolin Chen, Dongming Sun et al. · 2020 · Science
24. Spectral neighbor analysis method for automated generation of quantum-accurate interatomic potentials
    Aidan P. Thompson, Laura Painton Swiler, Christian Robert Trott, Stephen M. Foiles, Garritt J. Tucker · 2014 · Journal of Computational Physics
25. r2SCAN-3c: A “Swiss army knife” composite electronic-structure method
    Stefan Grimme, Andreas Hansen, Sebastian Ehlert, Jan‐Michael Mewes · 2021 · The Journal of Chemical Physics
26. High Electrocatalytic Hydrogen Evolution Activity of an Anomalous Ruthenium Catalyst
    Zheng, Yao, Jiao, Yan, Zhu, Yihan, Li, Lu Hua, Han, Yu, Chen, Ying, Jaroniec, Mietek, Qiao, Shi-Zhang · 2016 · Journal of the American Chemical Society
27. Improved Description of the Structure of Molecular and Layered Crystals: Ab Initio DFT Calculations with van der Waals Corrections
    Tomáš Bučko, J. Häfner, Sébastien Lebègue∥, János G. Ángyán · 2010 · The Journal of Physical Chemistry A
28. Ultralow-loading platinum-cobalt fuel cell catalysts derived from imidazolate frameworks
    Chong, Lina, Wen, Jianguo, Kubal, Joseph, Sen, Fatih G., Zou, Jianxin, Greeley, Jeffery, Chan, Maria, Barkholtz, Heather, Ding, Wenjiang, Liu, Di-Jia · 2018 · Science
29. Metallic Nickel Nitride Nanosheets Realizing Enhanced Electrochemical Water Oxidation
    Xu, Kun, Chen, Pengzuo, Li, Xiuling, Tong, Yun, Ding, Hui, Wu, Xiaojun, Chu, Wangsheng, Peng, Zhenmeng, Wu, Changzheng, Xie, Yi · 2015 · Journal of the American Chemical Society
30. Direct observation of noble metal nanoparticles transforming to thermally stable single atoms
    Shengjie Wei, Ang Li, Jincheng Liu, Zhi Li, Wenxing Chen, Yue Gong, Qinghua Zhang, Weng-Chon Max Cheong, Yu Wang, Lirong Zheng et al. · 2018 · Nature Nanotechnology
31. Structural phase transitions in two-dimensional Mo- and W-dichalcogenide monolayers
    Karel-Alexander N. Duerloo, Yao Li, Evan J. Reed · 2014 · Nature Communications
32. Superior mechanical flexibility of phosphorene and few-layer black phosphorus
    Qun Wei, Xihong Peng · 2014 · Applied Physics Letters
33. First-principles prediction of redox potentials in transition-metal compounds with LDA + U
    F. Zhou, Matteo Cococcioni, Chris A. Marianetti, Dane D. Morgan, Gerd Ceder · 2004 · Physical Review B
34. Bismuthene on a SiC substrate: A candidate for a high-temperature quantum spin Hall material
    F. Reis, G. Li, L. Dudy, M. Bauernfeind, S. Glass, Werner R. Hanke, Ronny Thomale, J. Schäfer, R. Claessen · 2017 · Science
35. Oxygen vacancies and donor impurities in β-Ga2O3
    Joel Basile Varley, Justin R. Weber, Anderson Janotti, Chris G. Van de Walle · 2010 · Applied Physics Letters
36. Oxygen Bridges between NiO Nanosheets and Graphene for Improvement of Lithium Storage
    Guangmin Zhou, Dawei Wang, Lichang Yin, Na Li, Feng Li, Hui–Ming Cheng · 2012 · ACS Nano
37. A scalable metal-organic framework as a durable physisorbent for carbon dioxide capture
    Jian‐Bin Lin, Tai T. T. Nguyen, Ramanathan Vaidhyanathan, Jake Burner, Jared M. Taylor, Hana Dureckova, Farid Akhtar, Roger K. Mah, Omid Ghaffari Nik, Stefan Marx et al. · 2021 · Science
38. Electronic structure of two-dimensional crystals from ab initio theory
    Sébastien Lebègue∥, Olle Eriksson · 2009 · Physical Review B
39. Twinborn TiO 2 –TiN heterostructures enabling smooth trapping–diffusion–conversion of polysulfides towards ultralong life lithium–sulfur batteries
    Tianhong Zhou, Wei Zhong Lv, Jia Zhao Li, Guangmin Zhou, Yan Zhao, Shaoxun Fan, Bilu Liu, Baohua Li, Feiyu Kang, Quan‐Hong Yang · 2017 · Energy & Environmental Science
40. The Perdew–Burke–Ernzerhof exchange-correlation functional applied to the G2-1 test set using a plane-wave basis set
    Joachim A. Paier, Robin Hirschl, Martijn Marsman, Georg Kresse · 2005 · The Journal of Chemical Physics
41. Iron-facilitated dynamic active-site generation on spinel CoAl2O4 with self-termination of surface reconstruction for water oxidation
    Tianze Wu, Shengnan Sun, Jiajia Song, Shibo Xi, Yonghua Du, Bo Chen, Wardhana Aji Sasangka, Hanbin Liao, Chee Lip Gan, Günther G. Scherer et al. · 2019 · Nature Catalysis
42. Organometallic-functionalized interfaces for highly efficient inverted perovskite solar cells
    Zhen Li, Bo Li, Xin Wu, Stephanie A. Sheppard, Shoufeng Zhang, Danpeng Gao, Nicholas J. Long, Zonglong Zhu · 2022 · Science
43. A high-throughput infrastructure for density functional theory calculations
    Anubhav Jain, Geoffroy Hautier, Charles J. Moore, Shyue Ping Ong, Christopher C. Fischer, Tim Mueller, Kristin Aslaug Persson, Gerbrand Ceder · 2011 · Computational Materials Science
44. Localized High-Concentration Sulfone Electrolytes for High-Efficiency Lithium-Metal Batteries
    Xiaodi Ren, Shuru Chen, Hongkyung Lee, Donghai Mei, Mark Engelhard, Sarah Burton, Wengao Zhao, Jianming Zheng, Qiuyan Li, Michael S. Ding et al. · 2018 · Chem
45. Assessing the performance of recent density functionals for bulk solids
    Gábor I. Csonka, John P. Perdew, Adrienn Ruzsinszky, Pier Philipsen, Sébastien Lebègue∥, Joachim A. Paier, Oleg A. Vydrov, János G. Ángyán · 2009 · Physical Review B
46. Atomic-level insight into super-efficient electrocatalytic oxygen evolution on iron and vanadium co-doped nickel (oxy)hydroxide
    Jian Ming Jiang, Fanfei Sun, Si Zhou, Wei Hu, Hao Zhang, Jin‐Chao Dong, Zheng Rong Jiang, Jijun Zhao, Jian‐Feng Li, Wensheng Yan et al. · 2018 · Nature Communications
47. Spectroscopic Observation of Dual Catalytic Sites During Oxidation of CO on a Au/TiO 2 Catalyst
    Isabel Xiaoye Green, Wenjie Tang, Matthew Neurock, John T. Jr. Yates · 2011 · Science
48. Three-band tight-binding model for monolayers of group-VIB transition metal dichalcogenides
    Gui‐Bin Liu, Wen-Yu Shan, Yugui Yao, Wang Yao, Di Xiao · 2013 · Physical Review B
49. Absence of CO2 electroreduction on copper, gold and silver electrodes without metal cations in solution
    Mariana C. O. Monteiro, Federico Dattila, Bellenod J. L. Hagedoorn, Rodrigo García‐Muelas, Núria López, Marc T. M. Koper · 2021 · Nature Catalysis
50. Charting the complete elastic properties of inorganic crystalline compounds
    Maarten de Jong, Wei Chen, Thomas Angsten, Anubhav Jain, Randy J. Notestine, Anthony C. Gamst, Marcel H. F. Sluiter, Chaitanya Krishna Ande, Sybrand van der Zwaag, José J. Plata et al. · 2015 · Scientific Data
51. Synthesis of clathrate cerium superhydride CeH9 at 80-100 GPa with atomic hydrogen sublattice
    Nilesh P. Salke, M. Mahdi Davari Esfahani, Youjun Zhang, Ivan A. Kruglov, Jianshi Zhou, Yaguo Wang, Eran Greenberg, Vitali B. Prakapenka, Jin Liu, Артем Ромаевич Оганов et al. · 2019 · Nature Communications
52. Design of Lead-Free Inorganic Halide Perovskites for Solar Cells via Cation-Transmutation
    Xingang Zhao, Ji‐Hui Yang, Yuhao Fu, Dongwen Yang, Qiaoling Xu, Liping Yu, Su‐Huai Wei, Lijun Zhang · 2017 · Journal of the American Chemical Society
53. Refining Defect States in W 18 O 49 by Mo Doping: A Strategy for Tuning N 2 Activation towards Solar-Driven Nitrogen Fixation
    Ning Zhang, Abdul Jalil, Daoxiong Wu, Shuangming Chen, Yifei Liu, Chao Gao, Wei Ye, Zeming Qi, Huanxin Ju, Chengming Wang et al. · 2018 · Journal of the American Chemical Society
54. Theoretical and experimental evidence for a post-perovskite phase of MgSiO3 in Earth's D″ layer
    Артем Ромаевич Оганов, Shigeaki Ono · 2004 · Nature
55. Non-iridium-based electrocatalyst for durable acidic oxygen evolution reaction in proton exchange membrane water electrolysis
    Wu, Zhen-Yu, Chen, Feng-Yang, Li, Boyang, Yu, Shen-Wei, Finfrock, Y. Zou, Meira, Debora Motta, Yan, Qiang-Qiang, Zhu, Peng, Chen, Ming-Xi, Song, Tian-Wei et al. · 2023 · Nature Materials
56. Tuning the Electronic Properties of Semiconducting Transition Metal Dichalcogenides by Applying Mechanical Strains
    Priya Johari, Vivek B. Shenoy · 2012 · ACS Nano
57. Coupled molybdenum carbide and reduced graphene oxide electrocatalysts for efficient hydrogen evolution
    Ji-Sen Li, Yu Wang, Chunhui Liu, Shun‐Li Li, Yuguang Wang, Long‐Zhang Dong, Zhihui H. Dai, Yafei Li, Ya‐Qian Lan · 2016 · Nature Communications
58. Hierarchically Porous Graphene as a Lithium–Air Battery Electrode
    Jie Xiao, Donghai Mei, Xiaolin Li, Wu Xu, Deyu Wang, Gordon L. Graff, Wendy D. Bennett, Zimin Nie, Laxmikant V. Saraf, İlhan A. Aksay et al. · 2011 · Nano Letters
59. Electronic Structure and Carrier Mobility in Graphdiyne Sheet and Nanoribbons: Theoretical Predictions
    Mengqiu Long, Ling Tang, Dong Wang, Yuliang Li, Zhigang Shuai · 2011 · ACS Nano
60. Hybrid Dion–Jacobson 2D Lead Iodide Perovskites
    Lingling Mao, Weijun Ke, Laurent Pédesseau, Yilei Wu, Claudine Katan, Jacky Even, Michael R. Wasielewski, Constantinos C. Stoumpos, Mercouri G. Kanatzidis · 2018 · Journal of the American Chemical Society
61. CHGNet as a pretrained universal neural network potential for charge-informed atomistic modelling
    Deng, Bowen, Zhong, Peichen, Jun, KyuJung, Riebesell, Janosh, Han, Kevin, Bartel, Christopher J., Ceder, Gerbrand · 2023 · Nature Machine Intelligence
62. Graphene-like silicon nanoribbons on Ag(110): A possible formation of silicene
    B. Aufray, Abdelkader Kara, S. Vizzini, Hamid Oughaddou, Christel Leandri, B. Ealet, GUY LE LAY · 2010 · Applied Physics Letters
63. Metal-Free Single Atom Catalyst for N 2 Fixation Driven by Visible Light
    Chongyi Ling, Xianghong Niu, Qiang Li, Aijun Du, Jinlan Wang · 2018 · Journal of the American Chemical Society
64. Cs V 3 Sb 5 : A Z 2 Topological Kagome Metal with a Superconducting Ground State
    Brenden R. Ortiz, Samuel M. L. Teicher, Yong Hu, Julia L. Zuo, Paul M. Sarte, Emily C. Schueller, Milinda Abeykoon, Matthew Krogstad, Stephan Rosenkranz, R. Osborn et al. · 2020 · Physical Review Letters
65. Self-assembled monolayers direct a LiF-rich interphase toward long-life lithium metal batteries
    Yujing Liu, X. Tao, Yao Wang, Chi Jiang, Cong Ma, O. Sheng, Gong-Xun Lu, X. Lou · 2022 · Science
66. Implementation and performance of the frequency-dependent GW method within the PAW framework
    Maxim Shishkin, Georg Kresse · 2006 · Physical Review B
67. Accurate first-principles structures and energies of diversely bonded systems from an efficient density functional
    Jianwei Sun, Richard C. Remsing, Yubo Zhang, Zhaoru Sun, Adrienn Ruzsinszky, Haowei Peng, Zeng-hui Yang, Arpita Paul, Umesh Vasudeo Waghmare, Xifan Wu et al. · 2016 · Nature Chemistry
68. Strain-engineered direct-indirect band gap transition and its mechanism in two-dimensional phosphorene
    Xihong Peng, Qun Wei, Andrew Copple · 2014 · Physical Review B
69. Introducing DDEC6 atomic population analysis: part 1. Charge partitioning theory and methodology
    Thomas A. Manz, Nidia Gabaldon Limas · 2016 · RSC Advances
70. Coupling of Crystal Structure and Magnetism in the Layered, Ferromagnetic Insulator CrI 3
    Michael A. McGuire, Hemant Dixit, Valentino R. Cooper, Brian C. Sales · 2014 · Chemistry of Materials
71. Materials for hydrogen-based energy storage – past, recent progress and future outlook
    Michael Hirscher, Volodymyr A. Yartys, Marcello Baricco, José M. Bellosta von Colbe, Didier Blanchard, Robert C. Bowman, Darren P. Broom, Craig E. Buckley, Fei Chang, Ping Chen et al. · 2019 · Journal of Alloys and Compounds
72. Tri-s-triazine-Based Crystalline Graphitic Carbon Nitrides for Highly Efficient Hydrogen Evolution Photocatalysis
    Lihua Lin, Honghui Ou, Yongfan Zhang, Xinchen Wang · 2016 · ACS Catalysis
73. Porous Graphene as the Ultimate Membrane for Gas Separation
    De‐en Jiang, Valentino R. Cooper, Sheng Dai · 2009 · Nano Letters
74. Finding optimal surface sites on heterogeneous catalysts by counting nearest neighbors
    Federico Calle‐Vallejo, Jakub Tymoczko, Viktor Čolić, Quang Huy Vũ, Marcus D. Pohl, Karina Morgenstern, David Loffreda, Philippe Sautet, Wolfgang W. Schuhmann, Aliaksandr S. Bandarenka · 2015 · Science
75. DFT-D3 Study of Some Molecular Crystals
    Jonas Moellmann, Stefan Grimme · 2014 · The Journal of Physical Chemistry C
76. Mechanical properties of atomically thin boron nitride and the role of interlayer interactions
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77. Engineering unsymmetrically coordinated Cu-S1N3 single atom sites with enhanced oxygen reduction activity
    Huishan Shang, Xiangyi Zhou, Juncai Dong, Ang Li, Xu Zhao, Qinghua Liu, Yue Lin, Jiajing Pei, Zhi Li, Zhuoli Jiang et al. · 2020 · Nature Communications
78. Consistent structures and interactions by density functional theory with small atomic orbital basis sets
    Stefan Grimme, Jan Gerit Brandenburg, Christoph Bannwarth, Andreas Hansen · 2015 · The Journal of Chemical Physics
79. Giant piezoelectricity of Sm-doped Pb(Mg 1/3 Nb 2/3 )O 3 -PbTiO 3 single crystals
    Fei Li, Matthew J. Cabral, Bin Xu et al. · 2019 · Science
80. Atomic Level Structure in Multicomponent Bulk Metallic Glass
    Y. Q. Cheng, Evan Ma, H. W. Sheng · 2009 · Physical Review Letters
81. General Oriented Formation of Carbon Nanotubes from Metal–Organic Frameworks
    Jiashen Meng, Chaojiang Niu, Linhan Xu, Jiantao Li, Xiong Liu, Xuanpeng Wang, Yuzhu Wu, Xiaoming Xu, Wenyi Chen, Qi Li et al. · 2017 · Journal of the American Chemical Society
82. Fully unconstrained noncollinear magnetism within the projector augmented-wave method
    D. Hobbs, Georg Kresse, J. Häfner · 2000 · Physical review. B, Condensed matter
83. Ultrathin bismuth nanosheets from in situ topotactic transformation for selective electrocatalytic CO2 reduction to formate
    Na Han, Yu Wang, Hui Yang, Jun Deng, Jinghua Wu, Yafei Li, Yanguang Li · 2018 · Nature Communications
84. Field-effect transistors made from solution-grown two-dimensional tellurene
    Yixiu Wang, Gang Qiu, Ruoxing Wang, Shouyuan Huang, Qingxiao Wang, Yuanyue Liu, Yuchen Du, William A. Goddard, Moon Jae Kim, Xianfan Xu et al. · 2018 · Nature Electronics
85. Optimizing Binding Energies of Key Intermediates for CO 2 Hydrogenation to Methanol over Oxide-Supported Copper
    Shyam P. Kattel, Binhang Yan, Yixiong Yang, Jingguang G. Chen, Ping Liu · 2016 · Journal of the American Chemical Society
86. Quasiparticle band structures and optical properties of strained monolayer MoS 2 and WS 2
    Hongliang Shi, Hui Pan, Yong‐Wei Zhang, Boris I. Yakobson · 2013 · Physical Review B
87. Identification of single-atom active sites in carbon-based cobalt catalysts during electrocatalytic hydrogen evolution
    Cao, Linlin, Luo, Qiquan, Liu, Wei, Lin, Yue, Liu, Xiaokang, Cao, Yuanjie, Zhang, Wei, Wu, Yuen, Yang, Jinlong, Yao, Tao et al. · 2018 · Nature Catalysis
88. Large-Area Epitaxial Monolayer MoS2
    Dumitru Dumcenco, Dmitry Ovchinnikov, Kolyo Marinov, Predrag Lazić, Marco Gibertini, Nicola Marzari, Oriol Lopez-Sanchez, Yen‐Cheng Kung, Daria Krasnozhon, Mingwei W. Chen et al. · 2015 · ACS Nano
89. Trace doping of multiple elements enables stable battery cycling of LiCoO2 at 4.6 V
    Jienan Zhang, Qinghao Li, Chuying Ouyang, Xiqian Yu, Mingyuan Ge, Xiaojing Huang, Enyuan Hu, Chao Ma, Shaofeng Li, Ruijuan Xiao et al. · 2019 · Nature Energy
90. Mechanical Properties and Stacking Fault Energies of NiFeCrCoMn High-Entropy Alloy
    A.J. Zaddach, Changning Niu, Carl C. Koch, Douglas L. Irving · 2013 · JOM
91. Robust axion insulator and Chern insulator phases in a two-dimensional antiferromagnetic topological insulator
    Chang Liu, Yongchao Wang, Hao Li, Yang Wu, Yaoxin Li, Jiaheng Li, Ke He, Yong Xu, Jinsong Zhang, Yayu Wang · 2020 · Nature Materials
92. Cobalt carbide nanoprisms for direct production of lower olefins from syngas
    Liangshu Zhong, Fei Yu, Yunlei An, Yonghui Zhao, Yuhan Sun, Zhengjia Li, Tiejun Lin, Yanjun Lin, Xingzhen Qi, Yuanyuan Dai et al. · 2016 · Nature
93. Bilayer Phosphorene: Effect of Stacking Order on Bandgap and Its Potential Applications in Thin-Film Solar Cells
    Jun Dai, Xiao Cheng Zeng · 2014 · The Journal of Physical Chemistry Letters
94. Construction of hierarchical Ni–Co–P hollow nanobricks with oriented nanosheets for efficient overall water splitting
    Enlai Hu, Yafei Feng, Jianwei Nai, Dian Zhao, Yong Ming Hu, Xiong Wen Lou · 2018 · Energy & Environmental Science
95. Transparent dense sodium
    Yanming Ma, M. I. Eremets, Артем Ромаевич Оганов, Yu Xie, Ivan Trojan, Sergey A. Medvedev, Andriy O. Lyakhov, Mario Valle, Vitali B. Prakapenka · 2009 · Nature
96. Lattice oxygen activation enabled by high-valence metal sites for enhanced water oxidation
    Ning Zhang, Xiaobin Feng, Dewei Rao, Xi Deng, Lejuan Cai, Bocheng Qiu, Ran Long, Yujie Xiong, Yang Lü, Yang Chai · 2020 · Nature Communications
97. A single iron site confined in a graphene matrix for the catalytic oxidation of benzene at room temperature
    Dehui Deng, Xiaoqi Chen, Liang Yu, Xing Yang Wu, Qingfei Liu, Yun Liu, Huaixin Yang, Huanfang Tian, Yongfeng Hu, Peipei Du et al. · 2015 · Science Advances
98. Topological Axion States in the Magnetic Insulator MnBi 2 Te 4 with the Quantized Magnetoelectric Effect
    Dongqin Zhang, Minji Shi, Tongshuai Zhu, Dingyu Xing, Haijun Zhang, Jing Wang · 2019 · Physical Review Letters
99. Lithium Diffusion in Graphitic Carbon
    Kristin Aslaug Persson, Vijay Anand Sethuraman, Laurence J. Hardwick, Yoyo Hinuma, Ying Shirley Meng, Anton Van der Ven, Venkat Srinivasan, Robert M. Kostecki, Gerbrand Ceder · 2010 · The Journal of Physical Chemistry Letters
100. Visualization of O-O peroxo-like dimers in high-capacity layered oxides for Li-ion batteries
     Eric McCalla, Artem M. Abakumov, Matthieu Saubanère, Dominique Foix, Erik J. Berg, Gwenaëlle Rousse, Marie‐Liesse Doublet, D. Gonbeau, Petr Novák, Gustaaf Van TENDELOO et al. · 2015 · Science