Projector augmented-wave method

Blöchl, P. E.·1994·Physical Review B

Cited by (1,099)

Items 501–600 of 1,099

  1. Particle-swarm structure prediction on clusters
    Jian Lv, Yanchao Wang, Li Zhu, Yanming Ma · 2012 · The Journal of Chemical Physics
  2. Ab Initio Prediction of Piezoelectricity in Two-Dimensional Materials
    Michael N. Blonsky, Houlong L. Zhuang, Arunima K. Singh, Richard G. Hennig · 2015 · ACS Nano
  3. Mastering the surface strain of platinum catalysts for efficient electrocatalysis
    He, Tianou, Wang, Weicong, Shi, Fenglei, Yang, Xiaolong, Li, Xiang, Wu, Jianbo, Yin, Yadong, Jin, Mingshang · 2021 · Nature
  4. Structures, Phase Transitions and Tricritical Behavior of the Hybrid Perovskite Methyl Ammonium Lead Iodide
    Pamela S. Whitfield, N. Herron, W. E. Guise, Katharine Lynn Page, Yongqiang Q. Cheng, Ivan Milas, M. K. Crawford · 2016 · Scientific Reports
  5. Catalytic molten metals for the direct conversion of methane to hydrogen and separable carbon
    David Chester Upham, Vishal Agarwal, Alexander A. Khechfe, Zachary R. Snodgrass, Michael J. Gordon, Horia I. Metiu, Eric W. McFarland · 2017 · Science
  6. Tunable intrinsic strain in two-dimensional transition metal electrocatalysts
    Lei Wang, Zhenhua Zeng, Wenpei Gao, Tristan Maxson, David Raciti, Michael Giroux, Xiaoqing Q. Pan, Chao Wang, Jeffrey Greeley · 2019 · Science
  7. Exploring the ternary interactions in Cu–ZnO–ZrO2 catalysts for efficient CO2 hydrogenation to methanol
    Yuhao Wang, Shyam P. Kattel, Wengui Gao, Kongzhai Li, Ping Liu, Jingguang G. Chen, Hua Wang · 2019 · Nature Communications
  8. Vibrational Properties of CuO and Cu 4 O 3 from First-Principles Calculations, and Raman and Infrared Spectroscopy
    Lamjed Debbichi, M.C. Marco de Lucas, J.F. Pierson, Péter Krüger · 2012 · The Journal of Physical Chemistry C
  9. A Fundamental Relationship between Reaction Mechanism and Stability in Metal Oxide Catalysts for Oxygen Evolution
    Rong Xi, Jules Parolin, Alexie M. Kolpak · 2016 · ACS Catalysis
  10. Binding Site Diversity Promotes CO 2 Electroreduction to Ethanol
    Yuguang Li, Ziyun Wang, Tiange Yuan, Dae‐Hyun Nam, Mingchuan Luo, Joshua Wicks, Bin Chen, Jun Li, Fengwang Li, Francisco Pelayo García de Arquer et al. · 2019 · Journal of the American Chemical Society
  11. Nanoscale control of an interfacial metal–insulator transition at room temperature
    Cheng Cen, Stefan Thiel, G. Hammerl, Christof W. Schneider, Kristopher Andersen, C. Stephen Hellberg, J. Mannhart, Jeremy Levy · 2008 · Nature Materials
  12. A rhombohedral ferroelectric phase in epitaxially strained Hf0.5Zr0.5O2 thin films
    Yingfen Wei, Pavan Nukala, Mart Salverda, Sylvia Matzen, Hong Jian Zhao, Jamo Momand, Arnoud S. Everhardt, Guillaume Agnus, Graeme R. Blake, Philippe Lecoeur et al. · 2018 · Nature Materials
  13. Efficient and stable Ruddlesden–Popper perovskite solar cell with tailored interlayer molecular interaction
    Hui Jun Ren, Shidong Yu, Lingfeng Chao, Yingdong Xia, Yuanhui Sun, Shouwei Zuo, Fan Li, Tingting Niu, Yingguo Yang, Huanxin Ju et al. · 2020 · Nature Photonics
  14. Finding Nature’s Missing Ternary Oxide Compounds Using Machine Learning and Density Functional Theory
    Hautier, Geoffroy, Fischer, Christopher C., Jain, Anubhav, Mueller, Tim, Ceder, Gerbrand · 2010 · Chemistry of Materials
  15. Origin of the dielectric dead layer in nanoscale capacitors
    Massimiliano Stengel, Nicola A. Spaldin · 2006 · Nature
  16. Power generation and thermoelectric cooling enabled by momentum and energy multiband alignments
    Bingchao Qin, Dongyang Wang, Xixi Liu, Yongxin Qin, Jinfeng Dong, Jiangfan Luo, Jingwei Li, Wei Liu, Gangjian Tan, Xinfeng Tang et al. · 2021 · Science
  17. Employing Lead Thiocyanate Additive to Reduce the Hysteresis and Boost the Fill Factor of Planar Perovskite Solar Cells
    Ke, Weijun, Xiao, Chuanxiao, Wang, Changlei, Saparov, Bayrammurad, Duan, Hsin‐Sheng, Zhao, Dewei, Xiao, Zewen, Schulz, Philip, Harvey, Steven P., Liao, Weiqiang et al. · 2016 · Advanced Materials
  18. Water Oxidation on Pure and Doped Hematite (0001) Surfaces: Prediction of Co and Ni as Effective Dopants for Electrocatalysis
    Peilin Liao, John A. Keith, Emily A. Carter · 2012 · Journal of the American Chemical Society
  19. Superhard Monoclinic Polymorph of Carbon
    Quan Li, Yanming Ma, Артем Ромаевич Оганов, Hongbo Wang, Hui Wang, Ying Xu, Tian Shu Cui, Ho‐kwang Mao, Guangtian Zou · 2009 · Physical Review Letters
  20. Possible doping strategies for MoS 2 monolayers: An ab initio study
    Kapildeb Dolui, Ivan Rungger, C. D. Pemmaraju, Stefano Sanvito · 2013 · Physical Review B
  21. Eu 2+ Site Preferences in the Mixed Cation K 2 BaCa(PO 4 ) 2 and Thermally Stable Luminescence
    Jianwei Qiao, Lixin Ning, Мaxim S. Моlokeev, Yu‐Chun Chuang, Quanlin Liu, Zhiguo Xia · 2018 · Journal of the American Chemical Society
  22. Boosted Electrocatalytic N 2 Reduction to NH 3 by Defect‐Rich MoS 2 Nanoflower
    Xianghong Li, Tingshuai Li, Yongjun Ma, Qin Lei Wei, Weibin Qiu, Haoran Guo, Xifeng Shi, Peng Zhang, Abdullah Mohamed Asiri, Liang Chen et al. · 2018 · Advanced Energy Materials
  23. Evaluation of Half‐Heusler Compounds as Thermoelectric Materials Based on the Calculated Electrical Transport Properties
    Jiong Yang, Huanming Li, Ting Wu, Wenqing Zhang, Lidong Chen, Jihui Yang · 2008 · Advanced Functional Materials
  24. Mechanisms of Oxidase and Superoxide Dismutation-like Activities of Gold, Silver, Platinum, and Palladium, and Their Alloys: A General Way to the Activation of Molecular Oxygen
    Xiaomei Shen, Wenqi Liu, Xuejiao J. Gao, Xiaochun Wu, Xiaochun Wu, Xingfa Gao · 2015 · Journal of the American Chemical Society
  25. Regulating electronic states of nitride/hydroxide to accelerate kinetics for oxygen evolution at large current density
    Panlong Zhai, Chen Wang, Yuanyuan Zhao, Yanxue Zhang, Junfeng Gao, Licheng Sun, Jungang Hou · 2023 · Nature Communications
  26. Bottom-up synthesis of multifunctional nanoporous graphene
    César Moreno, Manuel Vilas‐Varela, Bernhard Kretz, Aran García-Lekue, Marius V. Costache, Markos Paradinas, Mirco Panighel, Gustavo Ceballos, Sergio O. Valenzuela, Diego Peña et al. · 2018 · Science
  27. Interlayer couplings, Moiré patterns, and 2D electronic superlattices in MoS 2 /WSe 2 hetero-bilayers
    Chendong Zhang, Chih‐Piao Chuu, Xibiao Ren, Ming‐Yang Li, Lain‐Jong Li, Chuanhong Jin, M. Y. Chou, Chih-Kang Ken Shih · 2017 · Science Advances
  28. Site-Occupation-Tuned Superionic Li x ScCl 3+ x Halide Solid Electrolytes for All-Solid-State Batteries
    Jianwen Liang, Xiaona Li, Shuo Wang, Keegan R. Adair, Weihan Li, Yang Zhao, Changhong Wang, Yongfeng Hu, Li Zhang, Shangqian Zhao et al. · 2020 · Journal of the American Chemical Society
  29. First-cycle voltage hysteresis in Li-rich 3d cathodes associated with molecular O2 trapped in the bulk
    Robert Alexander House, Gregory Jon Rees, Miguel A. Pérez‐Osorio, John‐Joseph Marie, Édouard Boivin, Alex W. Robertson, Abhishek Nag, Mirian García‐Fernández, Ke‐Jin Zhou, Peter George Bruce · 2020 · Nature Energy
  30. Short-Range Ordered Iridium Single Atoms Integrated into Cobalt Oxide Spinel Structure for Highly Efficient Electrocatalytic Water Oxidation
    Jieqiong Shan, Chao Ye, Shuangming Chen, Tulai Sun, Yan Jiao, Lingmei Liu, Chongzhi Zhu, Li Song, Yu Han, Mietek Jaroniec et al. · 2021 · Journal of the American Chemical Society
  31. Multiscale structural and electronic control of molybdenum disulfide foam for highly efficient hydrogen production
    Jiao Deng, Haobo Li, Su-Heng Wang, Ding Ding, Mingshu Chen, Chuan Liu, Zhong‐Qun Tian, Kostya S. Novoselov, Chao Ma, Dehui Deng et al. · 2017 · Nature Communications
  32. Torsion strained iridium oxide for efficient acidic water oxidation in proton exchange membrane electrolyzers
    Shaoyun Hao, Hongyuan Sheng, Min Liu, Jinzhen Huang, Guokui Zheng, Fan Zhang, Xiangnan Liu, Zhiwei Su, Jiajun Hu, Yang Qian et al. · 2021 · Nature Nanotechnology
  33. Lattice dynamics and vibrational spectra of the orthorhombic, tetragonal, and cubic phases of methylammonium lead iodide
    Federico Brivio, Jarvist Moore Frost, Jonathan Michael Skelton, Adam Jackson, Oliver Jacob Weber, Mark T. Weller, Alejandro Rodolfo Goñi, Aurélien M. A. Leguy, Piers R. F. Barnes, Aron Walsh · 2015 · Physical Review B
  34. Clarifying the relationship between redox activity and electrochemical stability in solid electrolytes
    Tammo K. Schwietert, Violetta A. Arszelewska, Chao Wang, Chuang Yu, Alexandros Vasileiadis, Niek J. J. de Klerk, Jart Hageman, Thomas Hupfer, Ingo Kerkamm, Yaolin Xu et al. · 2020 · Nature Materials
  35. First-principles phonon calculations of thermal expansion in Ti 3 SiC 2 , Ti 3 AlC 2 , and Ti 3 GeC 2
    Atsushi Togo, Laurent Chaput, Isao Tanaka, G. Hug · 2010 · Physical Review B
  36. Computational Search for Single-Layer Transition-Metal Dichalcogenide Photocatalysts
    Houlong L. Zhuang, Richard G. Hennig · 2013 · The Journal of Physical Chemistry C
  37. From Surface ZrO 2 Coating to Bulk Zr Doping by High Temperature Annealing of Nickel‐Rich Lithiated Oxides and Their Enhanced Electrochemical Performance in Lithium Ion Batteries
    Florian Schipper, Hana Bouzaglo, Mudit Dixit, Evan Mark Erickson, Tina Weigel, M. Talianker, Judith Grinblat, Larisa Burstein, Michael Schmidt, Jordan K. Lampert et al. · 2017 · Advanced Energy Materials
  38. Thermal conductivity of BN-C nanostructures
    Alper Kınacı, Justin B. Haskins, Cem Sevik, Tahir Çağın · 2012 · Physical Review B
  39. Predicted Novel High-Pressure Phases of Lithium
    Jian Lv, Yanchao Wang, Li Zhu, Yanming Ma · 2011 · Physical Review Letters
  40. Role of Lattice Oxygen Participation in Understanding Trends in the Oxygen Evolution Reaction on Perovskites
    Jong Suk Yoo, Rong Xi, Yusu Liu, Alexie M. Kolpak · 2018 · ACS Catalysis
  41. RETRACTED ARTICLE: Room-temperature superconductivity in a carbonaceous sulfur hydride
    Elliot Snider, Nathan Dasenbrock‐Gammon, Raymond McBride, Mathew Debessai, Hiranya Vindana, Kevin Vencatasamy, Keith V. Lawler, Ashkan Salamat, Ranga P. Dias · 2020 · Nature · Retracted
  42. Weak Van der Waals Stacking, Wide-Range Band Gap, and Raman Study on Ultrathin Layers of Metal Phosphorus Trichalcogenides
    Ke‐Zhao Du, Xingzhi Wang, Yang Liu, Peng Hu, M. Iqbal Bakti Utama, Chee Kwan Gan, Qihua Xiong, Christian Kloc · 2015 · ACS Nano
  43. Stacking effects on the electronic and optical properties of bilayer transition metal dichalcogenides MoS 2 , MoSe 2 , WS 2 , and WSe 2
    Jiangang He, Kerstin Hummer, Cesare Franchini · 2014 · Physical Review B
  44. Atomic and electronic modulation of self-supported nickel-vanadium layered double hydroxide to accelerate water splitting kinetics
    Dewen Wang, Qun Li, Ce Han, Qingqing Lu, Zhicai Xing, Xiurong Yang · 2019 · Nature Communications
  45. Diffusion of interstitial hydrogen into and through bcc Fe from first principles
    De‐en Jiang, Emily A. Carter · 2004 · Physical Review B
  46. Registry-dependent interlayer potential for graphitic systems
    Aleksey N. Kolmogorov, Vincent H. Crespi · 2005 · Physical Review B
  47. Gold-supported cerium-doped NiOx catalysts for water oxidation
    Jia Wei Desmond Ng, Max García Melchor, Michal Bajdich, Pongkarn Chakthranont, Charlotte Kirk, Aleksandra Vojvodić, Thomas Francisco Jaramillo · 2016 · Nature Energy
  48. Supported Cobalt Polyphthalocyanine for High-Performance Electrocatalytic CO2 Reduction
    Na Han, Yu Wang, Lu Ma, Jianguo Wen, Jing Li, Hechuang Zheng, Kaiqi Nie, Xinxia Wang, Feipeng Zhao, Yafei Li et al. · 2017 · Chem
  49. Introducing DDEC6 atomic population analysis: part 2. Computed results for a wide range of periodic and nonperiodic materials
    Nidia Gabaldon Limas, Thomas A. Manz · 2016 · RSC Advances
  50. Hierarchical NiCo 2 S 4 @NiFe LDH Heterostructures Supported on Nickel Foam for Enhanced Overall-Water-Splitting Activity
    Jia Liu, Jinsong Wang, Bao Zhang, Yunjun Ruan, Lin Lv, Xiao Yuan Ji, Kui Xu, Ling Miao, Jianjun Jiang · 2017 · ACS Applied Materials & Interfaces
  51. Catalyst synthesis under CO2 electroreduction favours faceting and promotes renewable fuels electrosynthesis
    Yuhang Wang, Ziyun Wang, Cao‐Thang Dinh, Jun Li, Adnan Ozden, Md Golam Kibria, Ali Seifitokaldani, Chih‐Shan Tan, Christine M. Gabardo, Mingchuan Luo et al. · 2019 · Nature Catalysis
  52. Dopants fixation of Ruthenium for boosting acidic oxygen evolution stability and activity
    Shaoyun Hao, Min Liu, Junjie Pan, Xiangnan Liu, Xiaoli Tan, Nan Xu, Yi He, Lecheng Lei, Xingwang Zhang · 2020 · Nature Communications
  53. Lattice Dislocations Enhancing Thermoelectric PbTe in Addition to Band Convergence
    Zhiwei Chen, Zhengzhong Jian, Wen Li, Yunjie Chang, Binghui Ge, Riley C. Hanus, Jiong Yang, Yue Chen, Mingxin Huang, Gerald Jeffrey Snyder et al. · 2017 · Advanced Materials
  54. Black phosphorus composites with engineered interfaces for high-rate high-capacity lithium storage
    Hongchang Jin, Sen Xin, Cheng‐Hao Chuang, Wangda Li, Haiyun Wang, Jian Zhu, Huanyu Xie, Taiming Zhang, Yangyang Wan, Zhikai Qi et al. · 2020 · Science
  55. Simultaneous nanocatalytic surface activation of pollutants and oxidants for highly efficient water decontamination
    Yingjie Zhang, Gui‐Xiang Huang, Lea R. Winter, Jie‐Jie Chen, Lili Tian, Shu‐Chuan Mei, Ze Zhang, Fei Chen, Zhiyan Guo, Rong Ji et al. · 2022 · Nature Communications
  56. Why does the B3LYP hybrid functional fail for metals?
    Joachim A. Paier, Martijn Marsman, Georg Kresse · 2007 · The Journal of Chemical Physics
  57. Can Pb-Free Halide Double Perovskites Support High-Efficiency Solar Cells?
    Christopher N. Savory, Aron Walsh, David O. Scanlon · 2016 · ACS Energy Letters
  58. Self‐Suppression of Lithium Dendrite in All‐Solid‐State Lithium Metal Batteries with Poly(vinylidene difluoride)‐Based Solid Electrolytes
    Xue Zhang, Shuo Wang, Chuanjiao Xue, Chengzhou Xin, Yuanhua Lin, Yang Shen, Liangliang Li, Ce‐Wen Nan · 2019 · Advanced Materials
  59. ElaStic: A tool for calculating second-order elastic constants from first principles
    Rostam Golesorkhtabar, P. Pavone, Jürgen Spitaler, Peter Puschnig, Claudia Draxl · 2013 · Computer Physics Communications
  60. Multi‐Functional Layered WS 2 Nanosheets for Enhancing the Performance of Lithium–Sulfur Batteries
    Tianyu Lei, Wei Chen, Jianwen Huang, Chaoyi Yan, Haoxuan Sun, Chao Wang, Wanli Zhang, Yanrong Li, Jie Xiong · 2016 · Advanced Energy Materials
  61. Versatile van der Waals Density Functional Based on a Meta-Generalized Gradient Approximation
    Haowei Peng, Zeng-hui Yang, John P. Perdew, Jianwei Sun · 2016 · Physical Review X
  62. Tracking the Role of Defect Types in Co 3 O 4 Structural Evolution and Active Motifs during Oxygen Evolution Reaction
    Rongrong Zhang, Lun Pan, Beibei Guo, Zhen‐Feng Huang, Zhongxin Chen, Li Wang, Xiangwen Zhang, Zhiying Guo, Wei Xu, Kian Ping Loh et al. · 2023 · Journal of the American Chemical Society
  63. Facet-dependent active sites of a single Cu2O particle photocatalyst for CO2 reduction to methanol
    Yimin A. Wu, Ian McNulty, Cong Liu, Kah Chun Lau, Qi Liu, Arvydas Paul Paulikas, Cheng‐Jun Sun, Zhonghou Cai, Jeffrey R. Guest, Yang Ren et al. · 2019 · Nature Energy
  64. First-principles study, fabrication and characterization of (Zr0.25Nb0.25Ti0.25V0.25)C high-entropy ceramics
    Beilin Ye, Tongqi Wen, Manh Cuong Nguyen, Luyao Hao, Cai‐Zhuang Wang, Yanhui Chu · 2019 · Acta Materialia
  65. A disordered rock salt anode for fast-charging lithium-ion batteries
    Haodong Liu, Zhuoying Zhu, Qizhang Yan, Sicen Yu, Xin He, Yan Chen, Rui Zhang, Lu Ma, Tongchao Liu, Matthew Li et al. · 2020 · Nature
  66. Neuroevolution machine learning potentials: Combining high accuracy and low cost in atomistic simulations and application to heat transport
    Zheyong Fan, Zezhu Zeng, Cunzhi Zhang, Yanzhou Wang, Keke Song, Haikuan Dong, Yue Chen, Tapio Ala-Nissilä · 2021 · Physical review. B./Physical review. B
  67. Optimization of ionic conductivity in doped ceria
    David A. Andersson, Sergei I. Simak, Natalia V. Skorodumova, Igor A. Abrikosov, Börje Johansson · 2006 · Proceedings of the National Academy of Sciences
  68. Machine learning the quantum-chemical properties of metal–organic frameworks for accelerated materials discovery
    Andrew Rosen, Shaelyn M. Iyer, Debmalya Ray, Zhenpeng Yao, Alán Aspuru‐Guzik, Laura Gagliardi, Justin M. Notestein, Randall Q. Snurr · 2021 · Matter
  69. Active Sites of Au and Ag Nanoparticle Catalysts for CO2 Electroreduction to CO
    Back, Seoin, Yeom, Min Sun, Jung, Yousung · 2015 · ACS Catalysis
  70. Breaking Long-Range Order in Iridium Oxide by Alkali Ion for Efficient Water Oxidation
    Jiajian Gao, Cong‐Qiao Xu, Sung‐Fu Hung, Wei Liu, Weizheng Cai, Zhiping Zeng, Chunmiao Jia, Hao Ming Chen, Hai Yan Xiao, Jun Li et al. · 2019 · Journal of the American Chemical Society
  71. Tailoring Competitive Adsorption Sites by Oxygen‐Vacancy on Cobalt Oxides to Enhance the Electrooxidation of Biomass
    Yuxuan Lu, Tianyang Liu, Chung‐Li Dong, Chunming Yang, Yucheng Huang, Yucheng Huang, Bo Zhou, Bo Zhou, Yuqin Zou, Zhijie Kong et al. · 2021 · Advanced Materials
  72. Single-atom catalysts for CO <sub>2</sub> electroreduction with significant activity and selectivity improvements
    Back, Seoin, Lim, Juhyung, Kim, Na-Young, Kim, Yong-Hyun, Jung, Yousung · 2017 · Chemical Science
  73. Functionalization of Single-Layer MoS 2 Honeycomb Structures
    Can Ataca, S. Çiraci · 2011 · The Journal of Physical Chemistry C
  74. Cascade of correlated electron states in the kagome superconductor CsV3Sb5
    He Zhao, Hong Li, Brenden R. Ortiz, Samuel M. L. Teicher, Takamori Park, Mengxing Ye, Ziqiang Wang, Leon Balents, Stephen D. Wilson, Ilija Zeljkovic · 2021 · Nature
  75. Alloying of Cu with Ru Enabling the Relay Catalysis for Reduction of Nitrate to Ammonia
    Wensheng Gao, Kefeng Xie, Jin Xie, Xiaomei Wang, Hong Zhang, Shengqi Chen, Hao Wang, Zelong Li, Can Li · 2023 · Advanced Materials
  76. First-principles study of intrinsic point defects in ZnO: Role of band structure, volume relaxation, and finite-size effects
    Paul Erhart, Karsten Albe, Andreas Klein · 2006 · Physical Review B
  77. Lead-Free Direct Band Gap Double-Perovskite Nanocrystals with Bright Dual-Color Emission
    Bin Yang, Xin Mao, Feng Hong, Weiwei Meng, Yuxuan Tang, Xusheng Xia, Songqiu Yang, Wei Deng, Keli Han · 2018 · Journal of the American Chemical Society
  78. Synchronous immobilization and conversion of polysulfides on a VO 2 –VN binary host targeting high sulfur load Li–S batteries
    Yingze Song, Wen Jie Zhao, Long Kong, Li Zhang, Xingyu Zhu, Yuanlong Shao, Feng Ding, Qiang Zhang, Jingyu Sun, Zhongfan Liu · 2018 · Energy & Environmental Science
  79. Design and control of gas diffusion process in a nanoporous soft crystal
    Cheng Gu, Nobuhiko Hosono, Jia‐Jia Zheng, Yohei Sato, Shinpei Kusaka, Shigeyoshi Sakaki, Susumu Kitagawa · 2019 · Science
  80. Theoretical Insights into the Mechanism of Selective Nitrate‐to‐Ammonia Electroreduction on Single‐Atom Catalysts
    Huan Niu, Zhaofu Zhang, Xiting Wang, Xuhao Wan, Chen Shao, Yuzheng Guo · 2020 · Advanced Functional Materials
  81. Factors that affect Li mobility in layered lithium transition metal oxides
    Kisuk Kang, Gerbrand Ceder · 2006 · Physical Review B
  82. Palladium–platinum core-shell icosahedra with substantially enhanced activity and durability towards oxygen reduction
    Xue Wang, Sang‐Il Choi, Luke T. Roling, Ming Luo, Cheng Ma, Lei Zhang, Miaofang Chi, Jingyue Liu, Zhaoxiong Xie, Jeffrey A. Herron et al. · 2015 · Nature Communications
  83. Dicalcium nitride as a two-dimensional electride with an anionic electron layer
    Kimoon Lee, Sung Wng Kim, Yoshitake Toda, Satoru Matsuishi, Hideo Hosono · 2013 · Nature
  84. Interaction of Black Phosphorus with Oxygen and Water
    Yuan Bo Huang, Jingsi Qiao, Kai He, Stoyan Bliznakov, Eli A. Sutter, Xianjue Chen, Da Luo, Fanke Meng, Dong Su, Jeremy Decker et al. · 2016 · Chemistry of Materials
  85. Extraordinarily Strong Interlayer Interaction in 2D Layered PtS 2
    Yuda Zhao, Jingsi Qiao, Peng Yu, Zhixin Hu, Ziyuan Lin, Shu Ping Lau, Zheng Liu, Wei Ji, Yang Chai · 2016 · Advanced Materials
  86. CO Oxidation Mechanism on CeO 2 -Supported Au Nanoparticles
    Hyun You Kim, Hyuck Mo Lee, Graeme Henkelman · 2011 · Journal of the American Chemical Society
  87. Cerium Metal–Organic Framework for Photocatalysis
    Xin‐Ping Wu, Laura Gagliardi, Donald G. Truhlar · 2018 · Journal of the American Chemical Society
  88. Electrostatics-based finite-size corrections for first-principles point defect calculations
    Yu Kumagai, Fumiyasu Oba · 2014 · Physical Review B
  89. T-Carbon: A Novel Carbon Allotrope
    Xian‐Lei Sheng, Qing‐Bo Yan, Fei Ye, Qing‐Rong Zheng, Gang Su · 2011 · Physical Review Letters
  90. Giant, unconventional anomalous Hall effect in the metallic frustrated magnet candidate, KV 3 Sb 5
    S. Y. Yang, Yaojia Wang, Brenden R. Ortiz, Defa Liu, Jacob Gayles, Elena Derunova, Rafael González‐Hernández, Libor Šmejkal, Yulin Chen, S. Parkin et al. · 2020 · Science Advances
  91. Rh-engineered ultrathin NiFe-LDH nanosheets enable highly-efficient overall water splitting and urea electrolysis
    Huachuan Sun, Wei Zhang, Jiangang Li, Zhishan Li, Xiang Ao, Kan‐Hao Xue, Kostya Ostrikov, Jiang Tang, Chundong Wang · 2020 · Applied Catalysis B: Environmental
  92. Nickel sulfides for electrocatalytic hydrogen evolution under alkaline conditions: a case study of crystalline NiS, NiS2, and Ni3S2 nanoparticles
    Nan Jiang, Qing Tang, Meili Sheng, Bo You, De-En Jiang, Yu-Jie Sun · 2016 · Catalysis Science & Technology
  93. Highly optimized embedded-atom-method potentials for fourteen fcc metals
    H. W. Sheng, Matthew Joseph Kramer, Adam Cadien, Takeshi Fujita, Mingwei W. Chen · 2011 · Physical Review B
  94. Spinel compounds as multivalent battery cathodes: a systematic evaluation based on ab initio calculations
    Miao Liu, Ziqin Rong, Rahul Malik, Pieremanuele Canepa, Anubhav Jain, Gerbrand Ceder, Kristin Aslaug Persson · 2014 · Energy & Environmental Science
  95. Mechanical properties of refractory high-entropy alloys: Experiments and modeling
    Hongwei Yao, Junwei Qiao, Jeffrey A. Hawk, H.F. Zhou, Mingwei W. Chen, Michael C. Gao · 2016 · Journal of Alloys and Compounds
  96. Next‐Generation Narrow‐Band Green‐Emitting RbLi(Li 3 SiO 4 ) 2 :Eu 2+ Phosphor for Backlight Display Application
    Ming Zhao, Hongxu Liao, Lixin Ning, Qinyuan Zhang, Quanlin Liu, Zhiguo Xia · 2018 · Advanced Materials
  97. Selective conversion of furfural to methylfuran over silica-supported NiFe bimetallic catalysts
    Surapas Sitthisa, Wei An, Daniel E. Resasco · 2011 · Journal of Catalysis
  98. Mechanical Isolation of Highly Stable Antimonene under Ambient Conditions
    Pablo Ares, Fernando Aguilar‐Galindo, David Rodríguez‐San‐Miguel, Diego A. Aldave, Sergio Díaz‐Tendero, Manuel Alcamı́, Fernando Martı́n, Julio Gómez‐Herrero, Félix Zamora · 2016 · Advanced Materials
  99. Salt-Templated Synthesis of 2D Metallic MoN and Other Nitrides
    Xu Rui Xiao, Huimin Yu, Huanyu Jin, Menghao Wu, Yunsheng Fang, Jiyu Sun, Zhimi Hu, Tianqi Li, Jiabin Wu, Liang Huang et al. · 2017 · ACS Nano
  100. First-principles study of anisotropic thermoelectric transport properties of IV-VI semiconductor compounds SnSe and SnS
    Ruiqiang Guo, Xinjiang Wang, Youdi Kuang, Baoling Huang · 2015 · Physical Review B