Projector augmented-wave method

Cited by (1,100)

Items 701–800 of 1,100

1. Relationship between structure, dynamics, and mechanical properties in metallic glass-forming alloys
   Yongqiang Q. Cheng, H. W. Sheng, Evan Ma · 2008 · Physical Review B
2. Bimetallic Sulfide Sb 2 S 3 @FeS 2 Hollow Nanorods as High-Performance Anode Materials for Sodium-Ion Batteries
   Liang Cao, Xuan‐Wen Gao, Bao Zhang, Xing Ou, Jiafeng Zhang, Wen Luo · 2020 · ACS Nano
3. Ethylene-glycol ligand environment facilitates highly efficient hydrogen evolution of Pt/CoP through proton concentration and hydrogen spillover
   Li, Jiayuan, Liu, Han-Xuan, Gou, Wangyan, Zhang, Mingkai, Xia, Zhaoming, Zhang, Sai, Chang, Chun-Ran, Ma, Yuanyuan, Qu, Yongquan · 2019 · Energy & Environmental Science
4. CO adsorption on close-packed transition and noble metal surfaces: trends from ab initio calculations
   Marek Gajdo, A. Eichler, J. Häfner · 2004 · Journal of Physics Condensed Matter
5. Mechanical and Electronic Properties of MoS2 Nanoribbons and Their Defects
   Can Ataca, H. Şahin, E. Aktürk, S. Çiraci · 2011 · The Journal of Physical Chemistry C
6. Mn-doped monolayer MoS 2 : An atomically thin dilute magnetic semiconductor
   Ashwin Ramasubramaniam, Doron Naveh · 2013 · Physical Review B
7. Directional Construction of Vertical Nitrogen‐Doped 1T‐2H MoSe 2 /Graphene Shell/Core Nanoflake Arrays for Efficient Hydrogen Evolution Reaction
   Shengjue Deng, Yu Zhong, Yinxiang Zeng, Yadong Wang, Zhujun Yao, Fan Yang, Shiwei Lin, Xiuli Wang, Xihong Lu, Xinhui Xia et al. · 2017 · Advanced Materials
8. Charge Density Waves and Electronic Properties of Superconducting Kagome Metals
   Hengxin Tan, Yizhou Liu, Ziqiang Wang, Binghai Yan · 2021 · Physical Review Letters
9. Nickel supported on nitrogen-doped carbon nanotubes as hydrogen oxidation reaction catalyst in alkaline electrolyte
   Zhongbin Zhuang, Stephen A. Giles, Jie Zheng, Glen R. Jenness, Stavros Caratzoulas, Dionisios G. Vlachos, Yushan S. Yan · 2016 · Nature Communications
10. Effects of strain on band structure and effective masses in MoS 2
    Hartwin Peelaers, Chris G. Van de Walle · 2012 · Physical Review B
11. Batch production of 6-inch uniform monolayer molybdenum disulfide catalyzed by sodium in glass
    Pengfei Yang, Xiaolong Zou, Zhepeng Zhang, Min Hong, Jianping Shi, Shulin Chen, Jiapei Shu, Liyun Zhao, Shaolong Jiang, Xiebo Zhou et al. · 2018 · Nature Communications
12. Durable CO2 conversion in the proton-exchange membrane system
    Wensheng Fang, Wei Guo, Ruihu Lu, Ya Ping Yan, Xiaokang Liu, Dan Wu, Fu Min Li, Yansong Zhou, Chaohui He, Chenfeng Xia et al. · 2024 · Nature
13. Unique chemical reactivity of a graphene nanoribbon’s zigzag edge
    De‐en Jiang, Bobby G. Sumpter, Sheng Dai · 2007 · The Journal of Chemical Physics
14. Spectroscopic Fingerprints of Graphitic, Pyrrolic, Pyridinic, and Chemisorbed Nitrogen in N-Doped Graphene
    Petr Lazar, Radim Mach, Michal Otyepka · 2019 · The Journal of Physical Chemistry C
15. Atomic-scale engineering of indium oxide promotion by palladium for methanol production via CO2 hydrogenation
    Matthias S. Frei, Cecilia Mondelli, Rodrigo García‐Muelas, Klara S. Kley, Begoña Puértolas, Núria López, Оlga V. Safonova, Joseph A. Stewart, Daniel Curulla‐Ferré, Javier Pérez‐Ramírez · 2019 · Nature Communications
16. Assessing the quality of the random phase approximation for lattice constants and atomization energies of solids
    Judith Harl, Laurids Schimka, Georg Kresse · 2010 · Physical Review B
17. Ultrathin N-Doped Mo 2 C Nanosheets with Exposed Active Sites as Efficient Electrocatalyst for Hydrogen Evolution Reactions
    Jin Feng Jia, Tanli Xiong, Lili Zhao, Fulei Wang, Hong Liu, Renzong Hu, Jian Feng Zhou, Weijia Zhou, Shaowei W. Chen · 2017 · ACS Nano
18. Facilitating alkaline hydrogen evolution reaction on the hetero-interfaced Ru/RuO2 through Pt single atoms doping
    Yiming Zhu, Malte Klingenhof, Chenlong Gao, Toshinari Koketsu, Gregor Weiser, Yecan Pi, Shangheng Liu, Lijun Sui, Jingrong Hou, Jiayi Li et al. · 2024 · Nature Communications
19. Photocatalytic activity enhancement of core-shell structure g-C3N4@TiO2 via controlled ultrathin g-C3N4 layer
    Yingying Wang, Wenjuan Yang, Xianjie Chen, Jun Wang, Yongfa Zhu · 2017 · Applied Catalysis B: Environmental
20. Room-temperature ductile inorganic semiconductor
    Xun Shi, Hongyi Chen, Feng Hao, Ruiheng Liu, Tuo Wang, Pengfei Qiu, Ulrich Burkhardt, Yuri Grin, Lidong Chen · 2018 · Nature Materials
21. Selective electroreduction of CO2 to acetone by single copper atoms anchored on N-doped porous carbon
    Kun Zhao, Xiaowa Nie, Haozhi Wang, Shuo Chen, Xie Quan, Hongtao Yu, Wonyong Choi, Guanghui Zhang, Bupmo Kim, Jingguang G. Chen · 2020 · Nature Communications
22. Ab initio characterization of layered MoS2 as anode for sodium-ion batteries
    Majid Mortazavi, Chao Wang, Junkai Deng, Vivek B. Shenoy, Nikhil V. Medhekar · 2014 · Journal of Power Sources
23. WO3 Nanoflakes for Enhanced Photoelectrochemical Conversion
    Wenjie Li, Peimei Da, Yueyu Zhang, Yongcheng Wang, Xuan Hao Lin, Xin-Gao Gong, Gengfeng Zheng · 2014 · ACS Nano
24. Tuning of lattice oxygen reactivity and scaling relation to construct better oxygen evolution electrocatalyst
    Zhen‐Feng Huang, Shibo Xi, Jiajia Song, Shuo Dou, Xiaogang Li, Yonghua Du, Caozheng Diao, Zhichuan Jason Xu, Xin Wang · 2021 · Nature Communications
25. A LaCl3-based lithium superionic conductor compatible with lithium metal
    Yi‐Chen Yin, Jing-Tian Yang, Jin‐Da Luo, Gongxun Lu, Zhongyuan Huang, Jianping Wang, Pai Li, Feng Li, Ye-Chao Wu, Te Tian et al. · 2023 · Nature
26. Enhanced valley splitting in monolayer WSe2 due to magnetic exchange field
    Chuan Zhao, Tenzin Norden, Peiyao Zhang, Puqin Zhao, Yingchun Cheng, Fan Sun, James P. Parry, Payam Taheri, Jieqiong Wang, Yihang Yang et al. · 2017 · Nature Nanotechnology
27. Dirac Fermions in Borophene
    Baojie Feng, Osamu Sugino, Ro-Ya Liu, Jin Zhang, Ryu Yukawa, Mitsuaki Kawamura, Takushi Iimori, Howon Kim, Yukio Hasegawa, Hui Li et al. · 2017 · Physical Review Letters
28. Operando time-resolved X-ray absorption spectroscopy reveals the chemical nature enabling highly selective CO2 reduction
    Sheng‐Chih Lin, Chun‐Chih Chang, Shih-Yun Chiu, Hsiao-Tien Pai, Tzu-Yu Liao, Chia‐Shuo Hsu, Wei‐Hung Chiang, Ming‐Kang Tsai, Hao Ming Chen · 2020 · Nature Communications
29. Electrochemical CO2 reduction to ethylene by ultrathin CuO nanoplate arrays
    Wei Liu, Pengbo Zhai, Aowen Li, Bo Wei, Kunpeng Si, Yi Wei, Xingguo Wang, Guangda Zhu, Qian Chen, Xiaokang Gu et al. · 2022 · Nature Communications
30. Above-room-temperature strong intrinsic ferromagnetism in 2D van der Waals Fe3GaTe2 with large perpendicular magnetic anisotropy
    Gaojie Zhang, Fei Guo, Hao Wu, Xiaokun Wen, Li Yang, Jin Wen, Wenfeng Zhang, Haixin Chang · 2022 · Nature Communications
31. Cooperativity and Dynamics Increase the Performance of NiFe Dry Reforming Catalysts
    Sung Min Kim, Paula M. Abdala, Tigran Margossian, Davood Hosseini, Lucas Foppa, Andaç Armutlulu, Wouter van Beek, Aleix Comas‐Vives, Christophe Copéret, Christoph Rüdiger Müller · 2017 · Journal of the American Chemical Society
32. Phase-dependent growth of Pt on MoS2 for highly efficient H2 evolution
    Shi, Zhenyu, Zhang, Xiao, Lin, Xiaoqian, Liu, Guigao, Ling, Chongyi, Xi, Shibo, Chen, Bo, Ge, Yiyao, Tan, Chaoliang, Lai, Zhuangchai et al. · 2023 · Nature
33. Magnetic ground state of semiconducting transition-metal trichalcogenide monolayers
    Nikhil Sivadas, Matthew W. Daniels, Robert H. Swendsen, Satoshi Okamoto, Di Xiao · 2015 · Physical Review B
34. A Projector Augmented Wave (PAW) code for electronic structure calculations, Part I: atompaw for generating atom-centered functions
    Natalie A. W. Holzwarth, Alan R. Tackett, G. Eric Matthews · 2001 · Computer Physics Communications
35. Elastic, Electronic, and Optical Properties of Two-Dimensional Graphyne Sheet
    Jun Yong Kang, Jingbo Li, Fengmin Wu, Shu‐Shen Li, Jian‐Bai Xia · 2011 · The Journal of Physical Chemistry C
36. Synergy of Single-Atom Ni 1 and Ru 1 Sites on CeO 2 for Dry Reforming of CH 4
    Yu Tang, Yuechang Wei, Ziyun Wang, Shiran Zhang, Yuting Li, Luan T. Nguyen, Yixiao Li, Yan Zhou, Wenjie Shen, Franklin Feng Tao et al. · 2019 · Journal of the American Chemical Society
37. Properties of nitrogen-vacancy centers in diamond: the group theoretic approach
    Jeronimo R. Maze, Ádám Gali, Emre Togan, Yiwen Chu, Alexei S. Trifonov, Efthimios Kaxiras, Mikhail D. Lukin · 2011 · New Journal of Physics
38. Rare-Earth Single-Atom La–N Charge-Transfer Bridge on Carbon Nitride for Highly Efficient and Selective Photocatalytic CO2 Reduction
    Peng Chen, Ben Lei, Xing’an Dong, Hong Wang, Jianping Sheng, Wen Quan Cui, Jieyuan Li, Yanjuan Sun, Zhiming Wang, Fan Dong · 2020 · ACS Nano
39. High thermoelectric performance realized through manipulating layered phonon-electron decoupling
    Lizhong Su, Dongyang Wang, Sining Wang, Bingchao Qin, Yuping Wang, Yongxin Qin, Yang Jin, Cheng Chang, Li‐Dong Zhao · 2022 · Science
40. First principles scheme to evaluate band edge positions in potential transition metal oxide photocatalysts and photoelectrodes
    Maytal Caspary Toroker, Dalal K. Kanan, Nima Alidoust, Leah Isseroff Bendavid, Peilin Liao, Emily A. Carter · 2011 · Physical Chemistry Chemical Physics
41. Effects of carbon on the electrical and optical properties of InN, GaN, and AlN
    John L. Lyons, Anderson Janotti, Chris G. Van de Walle · 2014 · Physical Review B
42. Separation of enantiomers by their enantiospecific interaction with achiral magnetic substrates
    Banerjee-Ghosh, Koyel, Ben Dor, Oren, Tassinari, Francesco, Capua, Eyal, Yochelis, Shira, Capua, Amir, Yang, See-Hun, Parkin, Stuart S. P., Sarkar, Soumyajit, Kronik, Leeor et al. · 2018 · Science
43. O-vacancy as the origin of negative bias illumination stress instability in amorphous In–Ga–Zn–O thin film transistors
    Byungki Ryu, Hyeon-Kyun Noh, Eun-Ae Choi, K. J. Chang · 2010 · Applied Physics Letters
44. Visualizing Gas Molecules Interacting with Supported Nanoparticulate Catalysts at Reaction Conditions
    秀人 吉田, Yasufumi Kuwauchi, Joerg Ralf Jinschek, Keju Sun, Shingo Tanaka, Masanori Kohyama, Satoshi Shimada, Masatake Haruta, Seiji Takeda · 2012 · Science
45. Cu–Sn Bimetallic Catalyst for Selective Aqueous Electroreduction of CO 2 to CO
    Saad Sarfraz, Angel T. Garcia‐Esparza, Abdesslem Jedidi, Luigi Cavallo, Kazuhiro Takanabe · 2016 · ACS Catalysis
46. Topological flat bands in frustrated kagome lattice CoSn
    Mingu Kang, Shiang Fang, Linda Ye, Hoi Chun Po, Jonathan Denlinger, Chris M. Jozwiak, Aaron Bostwick, Eli Rotenberg, Efthimios Kaxiras, Joseph George Checkelsky et al. · 2020 · Nature Communications
47. A facile and versatile method for preparation of colored TiO 2 with enhanced solar-driven photocatalytic activity
    Huaqiao Tan, Zhao Zhao, Mang Niu, Chengyu Mao, Dapeng Cao, Daojian Cheng, Pingyun Feng, Zaicheng Sun · 2014 · Nanoscale
48. Electronic properties of hydrogenated silicene and germanene
    Michel Houssa, Emilio Scalise, Kiroubanand Sankaran, Geoffrey Pourtois, Valery V. Afanas'ev, André L. Stesmans · 2011 · Applied Physics Letters
49. Strong, tough, ionic conductive, and freezing-tolerant all-natural hydrogel enabled by cellulose-bentonite coordination interactions
    Siheng Wang, Le Yu, Shanshan Wang, Lei Zhang, Lu Chen, Xu Xu, Zhanqian Song, He Liu, Chaoji Chen · 2022 · Nature Communications
50. First-principles theory of nonradiative carrier capture via multiphonon emission
    Audrius Alkauskas, Qimin Yan, Chris G. Van de Walle · 2014 · Physical Review B
51. Gold-Adatom-Mediated Bonding in Self-Assembled Short-Chain Alkanethiolate Species on the Au(111) Surface
    Petro Maksymovych, Dan C. Sorescu, John T. Jr. Yates · 2006 · Physical Review Letters
52. Predicting crystal structure by merging data mining with quantum mechanics
    Christopher C. Fischer, Kevin Tibbetts, Dane D. Morgan, Gerbrand Ceder · 2006 · Nature Materials
53. Metal–oxygen decoordination stabilizes anion redox in Li-rich oxides
    Jihyun Hong, William E. Gent, Penghao Xiao, Kipil Lim, Dong‐Hwa Seo, Jinpeng Wu, Peter M. Csernica, Christopher J. Takacs, Dennis L. Nordlund, Cheng‐Jun Sun et al. · 2019 · Nature Materials
54. Investigating the Role of Tunable Nitrogen Vacancies in Graphitic Carbon Nitride Nanosheets for Efficient Visible-Light-Driven H2 Evolution and CO2 Reduction
    Wenguang Tu, You Peng Xu, Jiajia Wang, Bowei Zhang, Tianhua Zhou, Shengming Yin, Shuyang Wu, Chunmei Li, Yizhong Huang, Yong Lian Zhou et al. · 2017 · ACS Sustainable Chemistry & Engineering
55. Sulfur/Oxygen Codoped Porous Hard Carbon Microspheres for High‐Performance Potassium‐Ion Batteries
    Mei Chen, Wei Alex Wang, Xiao Qin Liang, Sheng Gong, Jie Liu, Qian Wang, Shaojun Guo, Huai Yang · 2018 · Advanced Energy Materials
56. A Mn-N3 single-atom catalyst embedded in graphitic carbon nitride for efficient CO2 electroreduction
    Jiaqi Feng, Hongshuai Gao, Lirong Zheng, Zhipeng Chen, Shaojuan Zeng, Chongyang Jiang, Haifeng Dong, Licheng Liu, Suojiang Zhang, Xiangping Zhang · 2020 · Nature Communications
57. Asymmetric pore windows in MOF membranes for natural gas valorization
    Sheng Zhou, Osama Shekhah, Adrián Ramírez, Pengbo Lyu, Edy Abou‐Hamad, Jiangtao Jia, Jiantang Li, Prashant M. Bhatt, Zhiyuan Huang, Hao Jiang et al. · 2022 · Nature
58. Confined linear carbon chains as a route to bulk carbyne
    Lei Shi, Philip Rohringer, Kazu Suenaga, Yoshiko Niimi, Jani Kotakoski, Jannik C. Meyer, Herwig Peterlik, Marius Wanko, Seymur Cahangirov, Ángel Rubio et al. · 2016 · Nature Materials
59. Creation and Destruction of Morphotropic Phase Boundaries through Electrical Poling: A Case Study of Lead-Free ( Bi 1 / 2 Na 1 / 2 ) TiO 3 − BaTiO 3 Piezoelectrics
    Cheng Ma, Hanzheng Guo, Scott P. Beckman, Xiaoli Tan · 2012 · Physical Review Letters
60. First-principles thermodynamics from phonon and Debye model: Application to Ni and Ni3Al
    Shun‐Li Shang, Yi Wang, DongEung Kim, Zi‐Kui Liu · 2009 · Computational Materials Science
61. Adsorption and Diffusion of Lithium on Layered Silicon for Li-Ion Storage
    Georgios A. Tritsaris, Efthimios Kaxiras, Sheng Meng, Enge Wang · 2013 · Nano Letters
62. Production of Highly Monolayer Enriched Dispersions of Liquid-Exfoliated Nanosheets by Liquid Cascade Centrifugation
    Claudia Backes, Beata Maria Szydłowska, Andrew Harvey, Shengjun Yuan, Víctor Vega‐Mayoral, Ben R. Davies, Pei-Liang Zhao, Damien Hanlon, Elton J. G. Santos, Mikhail I. Katsnelson et al. · 2016 · ACS Nano
63. Factors in the Metal Doping of BiVO 4 for Improved Photoelectrocatalytic Activity as Studied by Scanning Electrochemical Microscopy and First-Principles Density-Functional Calculation
    Hyun S. Park, Kyoung E. Kweon, Heechang Ye, Eunsu Paek, Gyeong Soon Hwang, Allen J. Bard · 2011 · The Journal of Physical Chemistry C
64. Activating the hydrogen evolution and overall water splitting performance of NiFe LDH by cation doping and plasma reduction
    Yuanhao Tang, Qian Liu, Lin Dong, Hao Bin Wu, Xin‐Yao Yu · 2020 · Applied Catalysis B: Environmental
65. Switching charge transfer of C3N4/W18O49 from type-II to Z-scheme by interfacial band bending for highly efficient photocatalytic hydrogen evolution
    Zhen‐Feng Huang, Jiajia Song, Xin Wang, Lun Pan, Ke Li, Xiangwen Zhang, Li Wang, Ji‐Jun Zou · 2017 · Nano Energy
66. Computational Screening of Cathode Coatings for Solid-State Batteries
    Yihan Xiao, Lincoln J. Miara, Yan Eric Wang, Gerbrand Ceder · 2019 · Joule
67. Direct observation of altermagnetic band splitting in CrSb thin films
    Sonka Reimers, Lukas Odenbreit, Libor Šmejkal, Vladimir N. Strocov, Procopios Constantinou, Anna Birk Hellenes, Rodrigo Jaeschke‐Ubiergo, Warlley H. Campos, Venkata K. Bharadwaj, Atasi Chakraborty et al. · 2024 · Nature Communications
68. Relationship between surface dipole, work function and charge transfer: Some exceptions to an established rule
    T. C. Leung, Chi-Chang Kao, Wan-Sheng Su, Ya Feng, Che Ting Chan · 2003 · Physical review. B, Condensed matter
69. Fabrication of Nickel–Cobalt Bimetal Phosphide Nanocages for Enhanced Oxygen Evolution Catalysis
    Bocheng Qiu, Lejuan Cai, Yang Wang, Ziyuan Lin, Yunpeng Zuo, Mengye Wang, Yang Chai · 2018 · Advanced Functional Materials
70. Surface Functionalization of Ti 3 C 2 T x MXene with Highly Reliable Superhydrophobic Protection for Volatile Organic Compounds Sensing
    Winston Yenyu Chen, Sz‐Nian Lai, Chao-Chun Yen, Xiaofan Jiang, Dimitrios Peroulis, Lia Stanciu · 2020 · ACS Nano
71. Comprehensive study of carbon dioxide adsorption in the metal–organic frameworks M 2 (dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)
    Wendy Lee Queen, Matthew R. Hudson, Eric D. Bloch, Jarad A. Mason, Miguel I. Gonzalez, Jason S. Lee, David Gygi, Joshua D. Howe, Kyuho Lee, Tamim A. Darwish et al. · 2014 · Chemical Science
72. Broad temperature plateau for high ZTs in heavily doped p-type SnSe single crystals
    Kunling Peng, Xu Lu, Heng Zhan, Si Hui, Xiaodan Tang, Guiwen Wang, Jiyan Dai, Ctirad Uher, Guoyu Wang, Xiaoyuan Zhou · 2015 · Energy & Environmental Science
73. Colossal barocaloric effects in plastic crystals
    Bing Li, Yukinobu Kawakita, Seiko Ohira‐Kawamura, Takeshi Sugahara, Hui Wang, Jingfan Wang, Yanna Chen, Saori Imada Kawaguchi, Shogo Kawaguchi, Koji Ohara et al. · 2019 · Nature
74. Prediction of Low-Thermal-Conductivity Compounds with First-Principles Anharmonic Lattice-Dynamics Calculations and Bayesian Optimization
    Atsuto Seko, Atsushi Togo, Hiroyuki Hayashi, Koji Tsuda, Laurent Chaput, Isao Tanaka · 2015 · Physical Review Letters
75. Large spin splitting in the conduction band of transition metal dichalcogenide monolayers
    Krzysztof Kośmider, Jhon W. González, Joaquín Fernández-Rossier · 2013 · Physical Review B
76. Enhancement of ferroelectricity at metal–oxide interfaces
    Massimiliano Stengel, David H. Vanderbilt, Nicola A. Spaldin · 2009 · Nature Materials
77. Reversing the charge transfer between platinum and sulfur-doped carbon support for electrocatalytic hydrogen evolution
    Qiangqiang Yan, Daoxiong Wu, Sheng-Qi Chu, Zhi-Qin Chen, Yue Lin, Ming‐Xi Chen, Jing Zhang, Xiaojun Wu, Hai‐Wei Liang · 2019 · Nature Communications
78. Magnetic Properties and Diffusion of Adatoms on a Graphene Sheet
    P. O. Lehtinen, Adam Stuart Foster, Andrés Ayuela, Arkady V. Krasheninnikov, K. Nordlund, R. M. Nieminen · 2003 · Physical Review Letters
79. Towards universal neural network potential for material discovery applicable to arbitrary combination of 45 elements
    Takamoto, So, Shinagawa, Chikashi, Motoki, Daisuke, Nakago, Kosuke, Li, Wenwen, Kurata, Iori, Watanabe, Taku, Yayama, Yoshihiro, Iriguchi, Hiroki, Asano, Yusuke et al. · 2022 · Nature Communications
80. Gas adsorption on MoS2 monolayer from first-principles calculations
    Shijun Zhao, Jianming Xue, Wei Kang · 2014 · Chemical Physics Letters
81. Towards identifying the active sites on RuO 2 (110) in catalyzing oxygen evolution
    Reshma R. Rao, Manuel J. Kolb, Niels Bendtsen Halck, Anders Filsøe Pedersen, Apurva Mehta, Hoydoo You, Kelsey A. Stoerzinger, Zhenxing Feng, Heine Anton Hansen, Hua Zhou et al. · 2017 · Energy & Environmental Science
82. A highly CO-tolerant atomically dispersed Pt catalyst for chemoselective hydrogenation
    Lili Lin, Siyu Yao, Rui Gao, Xuan Liang, Qiaolin Yu, Yuchen Deng, Jinjia Liu, Mi Peng, Zheng Rong Jiang, Siwei Li et al. · 2019 · Nature Nanotechnology
83. Rational design of mixed-matrix metal-organic framework membranes for molecular separations
    Shuvo Jit Datta, Álvaro Mayoral, N.M. Srivatsa Bettahalli, Prashant M. Bhatt, Madhavan Karunakaran, Ionela‐Daniela Carja, Dong Fan, Paulo G. M. Mileo, Rocío Semino, Guillaume Maurin et al. · 2022 · Science
84. Mechanical properties of the hexagonal boron nitride monolayer: Ab initio study
    Qing Peng, Wei Ji, Suvranu De · 2012 · Computational Materials Science
85. Proposed Photosynthesis Method for Producing Hydrogen from Dissociated Water Molecules Using Incident Near-Infrared Light
    Xingxing Li, Zhenyu Li, Jinlong Yang · 2014 · Physical Review Letters
86. O-coordinated W-Mo dual-atom catalyst for pH-universal electrocatalytic hydrogen evolution
    Yang Yang, Yumin Qian, Haijing Li, Zhenhua Zhang, Yuewen Mu, David Do, Bo Zhou, Jing Dong, Wenjun Yan, Yong Hua Qin et al. · 2020 · Science Advances
87. Quantum Anomalous Hall Effect in Graphene Proximity Coupled to an Antiferromagnetic Insulator
    Zhenhua Qiao, Wei Ren, Hua Chen, L. Bellaïche, Zhenyu Zhang, Allan H. MacDonald, Qian Niu · 2014 · Physical Review Letters
88. Stable cycling of lithium sulfide cathodes through strong affinity with a bifunctional binder
    Zhi Wei Seh, Qianfan Zhang, Weiyang Li, Guangyuan Wesley Zheng, Hong‐Bin Yao, Yi Cui · 2013 · Chemical Science
89. Impact of air exposure and surface chemistry on Li–Li 7 La 3 Zr 2 O 12 interfacial resistance
    Asma Sharafi, Seungho Yu, Michael Naguib, Marcus Lee, Cheng Ma, Harry M. Meyer, Jagjit Nanda, Maiofang Chi, Donald J. Siegel, Jeff S. Sakamoto · 2017 · Journal of Materials Chemistry A
90. Fast, Self‐Driven, Air‐Stable, and Broadband Photodetector Based on Vertically Aligned PtSe 2 /GaAs Heterojunction
    Long‐Hui Zeng, Shenghuang Lin, Zhongjun Li, Zhixiang Zhang, Tengfei Zhang, Chao Xie, Chun‐Hin Mak, Yang Chai, Shu Ping Lau, Lin‐Bao Luo et al. · 2018 · Advanced Functional Materials
91. Real-Space Identification of Intermolecular Bonding with Atomic Force Microscopy
    Jun Zhang, Pengcheng Chen, Bingkai Yuan, Wei Ji, Zhihai Cheng, Xiaohui Qiu · 2013 · Science
92. Cu 2 ZnSnS 4 as a potential photovoltaic material: A hybrid Hartree-Fock density functional theory study
    Joachim A. Paier, Ryoji Asahi, Akihiro Nagoya, Georg Kresse · 2009 · Physical Review B
93. Two-Dimensional Cu 2 Si Monolayer with Planar Hexacoordinate Copper and Silicon Bonding
    Li-Ming Yang, Vladimir Bačić, Ivan A. Popov, Alexander I. Boldyrev, Thomas Heine, Thomas Frauenheim, Eric Ganz · 2015 · Journal of the American Chemical Society
94. The GW Compendium: A Practical Guide to Theoretical Photoemission Spectroscopy
    Dorothea Golze, Marc Dvorak, Patrick Rinke · 2019 · Frontiers in Chemistry
95. Route to a Superconducting Phase above Room Temperature in Electron-Doped Hydride Compounds under High Pressure
    Ying Sun, Jian Lv, Yu Xie, Hanyu Liu, Yanming Ma · 2019 · Physical Review Letters
96. Cooperative carbon capture and steam regeneration with tetraamine-appended metal–organic frameworks
    Eugene J. Kim, Rebecca L. Siegelman, Henry Z. H. Jiang, Alexander C. Forse, Jung‐Hoon Lee, Jeffrey D. Martell, Phillip J. Milner, J.M. Falkowski, Jeffrey B. Neaton, Jeffrey R. Long et al. · 2020 · Science
97. The potential application of phosphorene as an anode material in Li-ion batteries
    Shijun Zhao, Wei Kang, Jianming Xue · 2014 · Journal of Materials Chemistry A
98. Highly doped and exposed Cu( i )–N active sites within graphene towards efficient oxygen reduction for zinc–air batteries
    Haihua Wu, Haobo Li, Xinfei Zhao, Qingfei Liu, Jing Wang, Jianping Xiao, Songhai Xie, Rui Si, Fan Yang, Shu Miao et al. · 2016 · Energy & Environmental Science
99. Enhanced piezoelectric effect in Janus group-III chalcogenide monolayers
    Yu Yang Guo, Si Zhou, Yizhen Bai, Jijun Zhao · 2017 · Applied Physics Letters
100. Platinum-nickel alloy excavated nano-multipods with hexagonal close-packed structure and superior activity towards hydrogen evolution reaction
     Zhenming Cao, Qiaoli Chen, Jiawei Zhang, Huiqi Li, Yaqi Jiang, Shou‐Yu Shen, Gang Fu, Bang‐An Lu, Zhaoxiong Xie, Lan‐Sun Zheng · 2017 · Nature Communications