From ultrasoft pseudopotentials to the projector augmented-wave method

Cited by (1,098)

Items 701–800 of 1,098

1. Homo-coupling of terminal alkynes on a noble metal surface
   Yi‐Qi Zhang, Nenad Kepčija, Martin Kleinschrodt, Katharina Diller, Sybille Fischer, Anthoula Chrysa Papageorgiou, Francesco Allegretti, Jonas Björk, Svetlana V. Klyatskaya, Florian Klappenberger et al. · 2012 · Nature Communications
2. Origin and Enhancement of Hole-Induced Ferromagnetism in First-Row d 0 Semiconductors
   Haowei Peng, Hongjun Xiang, Su‐Huai Wei · 2009 · Physical Review Letters
3. Universal Behavior and Electric‐Field‐Induced Structural Transition in Rare‐Earth‐Substituted BiFeO3
   Daisuke Kan, Lucia Pálová, Varatharajan Anbusathaiah, Ching Jung Cheng, Shigehiro Fujino, V. Nagarajan, Karin M. Rabe, Ichiro Takeuchi · 2010 · Advanced Functional Materials
4. A General Two‐Step Strategy–Based High‐Throughput Screening of Single Atom Catalysts for Nitrogen Fixation
   Chongyi Ling, Yixin Ouyang, Qiang Li, Xiaowan Bai, Xin Mao, Aijun Du, Jinlan Wang · 2018 · Small Methods
5. Boron-doped sodium layered oxide for reversible oxygen redox reaction in Na-ion battery cathodes
   Yu-Jie Guo, Pengfei Wang, Yubin Niu et al. · 2021 · Nature Communications
6. Microscopic properties of lithium, sodium, and magnesium battery anode materials related to possible dendrite growth
   Markus Jäckle, Axel Groß · 2014 · The Journal of Chemical Physics
7. Strain-controlled oxygen vacancy formation and ordering in CaMnO 3
   Ulrich Aschauer, Reto Pfenninger, Sverre M. Selbach, Tor Grande, Nicola A. Spaldin · 2013 · Physical Review B
8. Tilted spin current generated by the collinear antiferromagnet ruthenium dioxide
   Arnab Bose, Nathaniel J. Schreiber, Rakshit Jain et al. · 2022 · Nature Electronics
9. Thermodynamic and kinetic properties of the Li-graphite system from first-principles calculations
   Kristin Aslaug Persson, Yoyo Hinuma, Ying Shirley Meng, Anton Van der Ven, Gerbrand Ceder · 2010 · Physical Review B
10. Dispersion-Corrected Density Functional Theory for Aromatic Interactions in Complex Systems
    Stephan Ehrlich, Jonas Moellmann, Stefan Grimme · 2012 · Accounts of Chemical Research
11. Towards crystal structure prediction of complex organic compounds – a report on the fifth blind test
    David A. Bardwell, Claire S. Adjiman, Yelena A. Arnautova, Ekaterina Bartashevich, S. X. M. Boerrigter, Doris Elfriede Braun, Aurora J. Cruz Cabeza, Graeme Matthew Day, Raffaele Guido Della Valle, Gautam Radhakrishna Desiraju et al. · 2011 · Acta Crystallographica Section B Structural Science
12. Calcium as the Superior Coating Metal in Functionalization of Carbon Fullerenes for High-Capacity Hydrogen Storage
    Mina Yoon, Shenyuan Yang, Christian Hicke, Enge Wang, David B. Geohegan, Zhenyu Zhang · 2008 · Physical Review Letters
13. Large-area synthesis of high-quality and uniform monolayer WS2 on reusable Au foils
    Yang Gao, Zhibo Liu, Dongming Sun, Le Huang, Lai‐Peng Ma, Lichang Yin, Teng Ma, Zhiyong Zhang, Xiuliang Ma, Lian‐Mao Peng et al. · 2015 · Nature Communications
14. Defective Graphene as a High-Capacity Anode Material for Na- and Ca-Ion Batteries
    Dibakar Datta, Junwen Li, Vivek B. Shenoy · 2014 · ACS Applied Materials & Interfaces
15. Ab initiocalculations of defects in Fe and dilute Fe-Cu alloys
    Christophe Domain, Charlotte Becquart · 2001 · Physical review. B, Condensed matter
16. Intrinsic Half-Metallicity in Modified Graphene Nanoribbons
    Sudipta Dutta, Arun Kumar Manna, Swapan Kumar Pati · 2009 · Physical Review Letters
17. Reassignment of the Vibrational Spectra of Carbonates, Formates, and Related Surface Species on Ceria: A Combined Density Functional and Infrared Spectroscopy Investigation
    Georgi N. Vayssilov, Mihail Mihaylov, Petko St. Petkov, Konstantin Hadjiivanov, Konstantin M. Neyman · 2011 · The Journal of Physical Chemistry C
18. Chemical structures of hydrazine-treated graphene oxide and generation of aromatic nitrogen doping
    Sungjin Park, Yichen Hu, Jin Ok Hwang, Eui-Sup Lee, Leah B. Casabianca, Weiwei Cai, Jeffrey R. Potts, Hyung-Wook Ha, Shanshan Chen, Junghoon Oh et al. · 2012 · Nature Communications
19. Indirect to direct bandgap transition in methylammonium lead halide perovskite
    Tianyi Wang, Benjamin Daiber, Jarvist Moore Frost, Sander A. Mann, Erik Christian Garnett, Aron Walsh, Bruno Ehrler · 2016 · Energy & Environmental Science
20. Predicting the spin-lattice order of frustrated systems from first principles
    Hongjun Xiang, Erjun Kan, Su‐Huai Wei, Myung Hwan Whangbo, Xin-Gao Gong · 2011 · Physical Review B
21. Ab initiostudy of foreign interstitial atom (C, N) interactions with intrinsic point defects in α -Fe
    Christophe Domain, Charlotte Becquart, J. Foct · 2004 · Physical Review B
22. Polyamorphism in a metallic glass
    H. W. Sheng, Haozhe Liu, Yifeng Cheng, Jian Guo Wen, P. L. Lee, Weiqi Luo, S. D. Shastri, Evan Ma · 2007 · Nature Materials
23. In Situ-Generated Co0-Co3O4/N-Doped Carbon Nanotubes Hybrids as Efficient and Chemoselective Catalysts for Hydrogenation of Nitroarenes
    Zhongzhe Wei, Jing Wang, Shanjun Mao, Diefeng Su, Haiyan Jin, Yihe Wang, Fan Xu, Haoran Li, Yong Wang · 2015 · ACS Catalysis
24. Phase-change heterostructure enables ultralow noise and drift for memory operation
    Keyuan Ding, Jiangjing Wang, Yuxing Zhou, He Tian, Lu Lu, Riccardo Mazzarello, Chunlin Jia, Wei Zhang, Feng Rao, Evan Ma · 2019 · Science
25. Tracking the formation, fate and consequence for catalytic activity of Pt single sites on CeO2
    Florian Maurer, Jelena Jelic, Junjun Wang, Andreas M. Gänzler, Paolo Dolcet, Christof Wöll, Yuemin Wang, Felix Studt, Maria Casapu, Jan‐Dierk Grunwaldt · 2020 · Nature Catalysis
26. Ab initiostudy of the (0001) surfaces of hematite and chromia: Influence of strong electronic correlations
    A. Rohrbach, J. Häfner, Georg Kresse · 2004 · Physical Review B
27. Influence of ZrO2 Structure and Copper Electronic State on Activity of Cu/ZrO2 Catalysts in Methanol Synthesis from CO2
    Katarzyna Samson, Michał Śliwa, Robert Piotr Socha, Kinga Góra‐Marek, D. Mucha, Dorota Rutkowska‐Zbik, Jean‐François Paul, Małgorzata Ruggiero‐Mikołajczyk, Ryszard Grabowski, Jerzy Słoczyński · 2014 · ACS Catalysis
28. The Role of Cation Acidity on the Competition between Hydrogen Evolution and CO 2 Reduction on Gold Electrodes
    Mariana C. O. Monteiro, Federico Dattila, Núria López, Marc T. M. Koper · 2021 · Journal of the American Chemical Society
29. Uncovering sulfur doping effect in MnO2 nanosheets as an efficient cathode for aqueous zinc ion battery
    Yajun Zhao, Pengjun Zhang, Jinrui Liang, Xiaoyu Xia, Longtao Ren, Li Song, Wen Liu, Xiaoming Sun · 2022 · Energy storage materials
30. Synergy between Palladium Single Atoms and Nanoparticles via Hydrogen Spillover for Enhancing CO2 Photoreduction to CH4
    Peigen Liu, Zixiang Huang, Xiaoping Gao, Xun Hong, Junfa Zhu, Gongming Wang, Yuen Shing Wu, Jie Zeng, Xusheng Zheng · 2022 · Advanced Materials
31. Spin-Canting-Induced Improper Ferroelectricity and Spontaneous Magnetization Reversal in SmFe O 3
    Jung‐Hoon Lee, Young Kyu Jeong, Jung Hwan Park · 2011 · Physical Review Letters
32. Strain-induced direct–indirect bandgap transition and phonon modulation in monolayer WS2
    Yanlong Wang, Chunxiao Cong, Weihuang Yang · 2015 · Nano Research
33. Magnetism of Phthalocyanine-Based Organometallic Single Porous Sheet
    Jian Zhou, Qiang Sun · 2011 · Journal of the American Chemical Society
34. Criteria for Predicting the Formation of Single-Phase High-Entropy Alloys
    M. Claudia Troparevsky, James Robert Morris, Paul R. C. Kent, Andrew R. Lupini, G. Malcolm Stocks · 2015 · Physical Review X
35. Properties of Disorder-Engineered Black Titanium Dioxide Nanoparticles through Hydrogenation
    Xiaobo Chen, Lei Liu, Zhi Liu et al. · 2013 · Scientific Reports
36. Improved hybrid functional for solids: The HSEsol functional
    Laurids Schimka, Judith Harl, Georg Kresse · 2011 · The Journal of Chemical Physics
37. Molybdenum Carbide-Embedded Nitrogen-Doped Porous Carbon Nanosheets as Electrocatalysts for Water Splitting in Alkaline Media
    Chenbao Lu, Diana Tranca, Jian Zhang, Fermín Rodríguez‐Hernández, Yuezeng Su, Xiaodong Zhuang, Fan Zhang, Gotthard Seifert, Xinliang Feng · 2017 · ACS Nano
38. The PAW/GIPAW approach for computing NMR parameters: A new dimension added to NMR study of solids
    Thibault Charpentier · 2011 · Solid State Nuclear Magnetic Resonance
39. Understanding the interactions between lithium polysulfides and N-doped graphene using density functional theory calculations
    Lichang Yin, Ji Liang, Guangmin Zhou, Feng Li, Riichiro Saito, Hui–Ming Cheng · 2016 · Nano Energy
40. Structure- and Potential-Dependent Cation Effects on CO Reduction at Copper Single-Crystal Electrodes
    Elena Pérez‐Gallent, Giulia Marcandalli, Marta Costa Figueiredo, Federico Calle‐Vallejo, Marc T. M. Koper · 2017 · Journal of the American Chemical Society
41. Boosting the hydrogen evolution performance of ruthenium clusters through synergistic coupling with cobalt phosphide
    Junyuan Xu, Tian‐Fu Liu, Junjie Li, Bo Li, Yuefeng Liu, Bingsen Zhang, Dehua Xiong, Isilda Amorim, Wei Li, Lifeng Liu · 2018 · Energy & Environmental Science
42. Machine Learning Energies of 2 Million Elpasolite ( A B C 2 D 6 ) Crystals
    Felix A. Faber, Alexander Lindmaa, O. Anatole von Lilienfeld, Rickard Armiento · 2016 · Physical Review Letters
43. First-principles study of ground- and excited-state properties of MgO , ZnO , and CdO polymorphs
    André Schleife, F. Fuchs, Jürgen Furthmüller, F. Bechstedt · 2006 · Physical Review B
44. Intrinsic n-type Defect Formation in TiO 2 : A Comparison of Rutile and Anatase from GGA+ U Calculations
    Benjamin J. Morgan, Graeme W. Watson · 2010 · The Journal of Physical Chemistry C
45. Including crystal structure attributes in machine learning models of formation energies via Voronoi tessellations
    Logan T. Ward, Ruoqian Liu, Amar Krishna, Vinay I. Hegde, Ankit Agrawal, Alok Choudhary, Chris M. Wolverton · 2017 · Physical review. B./Physical review. B
46. FeO 6 Octahedral Distortion Activates Lattice Oxygen in Perovskite Ferrite for Methane Partial Oxidation Coupled with CO 2 Splitting
    Xianhua Zhang, Chunlei Pei, Xin Chang · 2020 · Journal of the American Chemical Society
47. Surface enrichment and diffusion enabling gradient-doping and coating of Ni-rich cathode toward Li-ion batteries
    Haifeng Yu, Yueqiang Cao, Long Chen · 2021 · Nature Communications
48. Dynamic rhenium dopant boosts ruthenium oxide for durable oxygen evolution
    Huanyu Jin, Xinyan Liu, Pengfei An, Cheng Tang, Huimin Yu, Qinghua Zhang, Hong‐Jie Peng, Lin Gu, Yao Zheng, Taeseup Song et al. · 2023 · Nature Communications
49. Accurate defect levels obtained from the HSE06 range-separated hybrid functional
    Péter Deák, Bálint Aradi, Thomas Frauenheim, Erik Janzén, Ádám Gali · 2010 · Physical Review B
50. GeP3: A Small Indirect Band Gap 2D Crystal with High Carrier Mobility and Strong Interlayer Quantum Confinement
    Yu Jing, Yandong Ma, Yafei Li, Thomas Heine · 2017 · Nano Letters
51. Pressure-driven dome-shaped superconductivity and electronic structural evolution in tungsten ditelluride
    Xing-Chen Pan, Xuliang Chen, Huimei Liu, Yanqing Feng, Zhongxia Wei, Yonghui Zhou, Zhenhua Chi, Li Pi, Fei Yen, Fengqi Song et al. · 2015 · Nature Communications
52. A red anatase TiO2 photocatalyst for solar energy conversion
    Gang Liu, Lichang Yin, Jian‐Qiang Wang, Ping Niu, Chao Zhen, Yingpeng Xie, Hui–Ming Cheng · 2012 · Energy & Environmental Science
53. Recent Progress in Two‐Dimensional Ferroelectric Materials
    Zhao Guan, Hu He, Xinwei Shen, Ping‐Hua Xiang, Ni Zhong, Junhao Chu, Chun‐Gang Duan · 2019 · Advanced Electronic Materials
54. Thermochemical electronegativities of the elements
    Christian Tantardini, Артем Ромаевич Оганов · 2021 · Nature Communications
55. MAX phases – Past, present, and future
    Martin Dahlqvist, Michel W. Barsoum, Johanna Rosén · 2023 · Materials Today
56. Structural and Electronic Properties of Germanene on MoS2
    Lijie Zhang, Pantelis Bampoulis, Alexander N. Rudenko, Qirong Yao, Arie van Houselt, Bene Poelsema B, Mikhail I. Katsnelson, Harold J. W. Zandvliet · 2016 · Physical Review Letters
57. Phase-controlled van der Waals growth of wafer-scale 2D MoTe2 layers for integrated high-sensitivity broadband infrared photodetection
    Di Wu, Chenguang Guo, Longhui Zeng, Xiaoyan Ren, Zhifeng Shi, Long Wen, Qin Chen, Meng Zhang, Xinjian Li, Chongxin Shan et al. · 2023 · Light Science & Applications
58. Graphyne: Hexagonal network of carbon with versatile Dirac cones
    Bog G. Kim, Hyoung Joon Choi · 2012 · Physical Review B
59. Magnetic properties of vacancies in graphene and single-walled carbon nanotubes
    Yuchen Ma, Pekka Lehtinen, Adam Stuart Foster, R. M. Nieminen · 2004 · New Journal of Physics
60. The role of the solid electrolyte interphase layer in preventing Li dendrite growth in solid-state batteries
    Bingbin Wu, Shanyu Wang, Joshua Andrew Lochala, David Desrochers, Bo Liu, Wenqing Zhang, Jihui Yang, Jie Xiao · 2018 · Energy & Environmental Science
61. Twin-induced one-dimensional homojunctions yield high quantum efficiency for solar hydrogen generation
    Maochang Liu, Dengwei Jing, Zhaohui Zhou, Liejin Guo · 2013 · Nature Communications
62. Crystal facet-dependent photocatalytic oxidation and reduction reactivity of monoclinic WO3 for solar energy conversion
    Yingpeng Xie, Gang Liu, Lichang Yin, Hui–Ming Cheng · 2012 · Journal of Materials Chemistry
63. The adsorption of CO and NO on the MoS2 monolayer doped with Au, Pt, Pd, or Ni: A first-principles study
    Dongwei Ma, Weiwei Ju, Tingxian Li, Xiwei Zhang, Chaozheng He, Benyuan Ma, Zhansheng Lu, Zongxian Yang · 2016 · Applied Surface Science
64. Amorphous nickel hydroxide shell tailors local chemical environment on platinum surface for alkaline hydrogen evolution reaction
    Wan, Chengzhang, Zhang, Zisheng, Dong, Juncai, Xu, Mingjie, Pu, Heting, Baumann, Daniel, Lin, Zhaoyang, Wang, Sibo, Huang, Jin, Shah, Aamir Hassan et al. · 2023 · Nature Materials
65. The p-type conduction mechanism in Cu2O: a first principles study
    Michael Nolan, Simon D. Elliott · 2006 · Physical Chemistry Chemical Physics
66. Understanding Chemical Expansion in Non‐Stoichiometric Oxides: Ceria and Zirconia Case Studies
    Dario Marrocchelli, Sean R. Bishop, Harry Louis Tuller · 2012 · Advanced Functional Materials
67. Accelerating crystal structure prediction by machine-learning interatomic potentials with active learning
    Evgeny V. Podryabinkin, Evgenii Tikhonov, Alexander V. Shapeev, Артем Ромаевич Оганов · 2019 · Physical review. B./Physical review. B
68. The Crystal Orbital Hamilton Population (COHP) Method as a Tool to Visualize and Analyze Chemical Bonding in Intermetallic Compounds
    Simon Steinberg, Richard Dronskowski · 2018 · Crystals
69. Giant Moisture Responsiveness of VS2 Ultrathin Nanosheets for Novel Touchless Positioning Interface
    Jun Feng, Lele Peng, Changzheng Wu, Xu Sun, Shuanglin Hu, Chenwen Lin, Jun Dai, Jinlong Yang, Yi Xie · 2012 · Advanced Materials
70. Materials simulations using VASP—a quantum perspective to materials science
    J. Häfner · 2007 · Computer Physics Communications
71. Stabilized Li3N for efficient battery cathode prelithiation
    Yongming Sun, Yanbin Li, Jie Sun, Yuzhang Li, Allen Pei, Yi Cui · 2016 · Energy storage materials
72. Schottky Heterojunction Nanosheet Array Achieving High‐Current‐Density Oxygen Evolution for Industrial Water Splitting Electrolyzers
    Qunlei Wen, Ke Yang, Danji Huang, Gao Cheng, Xiaomeng Ai, Youwen Liu, Jiakun Fang, Huiqiao Li, Lin Yu, Tianyou Zhai · 2021 · Advanced Energy Materials
73. Multiple Types of Topological Fermions in Transition Metal Silicides
    Tang, Peizhe, Zhou, Quan, Zhang, Shou-Cheng · 2017 · Physical Review Letters
74. Ferroelectric transition in Y Mn O 3 from first principles
    Craig J. Fennie, Karin M. Rabe · 2005 · Physical Review B
75. Accurate prediction of defect properties in density functional supercell calculations
    Stephan Lany, Alex Zunger · 2009 · Modelling and Simulation in Materials Science and Engineering
76. Extraordinary role of Hg in enhancing the thermoelectric performance of p-type SnTe
    Gangjian Tan, Fengyuan Shi, Jeff W. Doak, Hui Yuan Sun, Li‐Dong Zhao, Pengli Wang, Ctirad Uher, Chris M. Wolverton, Vinayak P. Dravid, Mercouri G. Kanatzidis · 2014 · Energy & Environmental Science
77. Band structure and phase stability of the copper oxides Cu 2 O, CuO, and Cu 4 O 3
    Markus Heinemann, Bianca Eifert, Christian Heiliger · 2013 · Physical Review B
78. Tunable Magnetism and Transport Properties in Nitride MXenes
    Hemant Kumar, Nathan C. Frey, Liang Dong, Babak Anasori, Yury G. Gogotsi, Vivek B. Shenoy · 2017 · ACS Nano
79. Prediction of Enhanced Catalytic Activity for Hydrogen Evolution Reaction in Janus Transition Metal Dichalcogenides
    Dequan Er, Han Ye, Nathan C. Frey, Hemant Kumar, Jun Lou, Vivek B. Shenoy · 2018 · Nano Letters
80. Machine-Learning Interatomic Potentials for Materials Science
    Yuri M. Mishin · 2021 · Acta Materialia
81. MnPSe3 Monolayer: A Promising 2D Visible‐Light Photohydrolytic Catalyst with High Carrier Mobility
    Xu Zhang, Xudong Zhao, Dihua Wu, Yu Jing, Zhen Ping Zhou · 2016 · Advanced Science
82. Evidence for a single-layer van der Waals multiferroic
    Song Qian, Connor A. Occhialini, Emre Ergeçen et al. · 2022 · Nature
83. DFT studies of dry reforming of methane on Ni catalyst
    Yi‐An Zhu, De Chen, Xinggui Zhou, Weikang Yuan · 2009 · Catalysis Today
84. Ab initio lattice stability in comparison with CALPHAD lattice stability
    Yi Wang, Stefano Curtarolo A, Chao Jiang, Raymundo Arróyave, Teng Wang, Gerd Ceder, Long‐Qing Chen, Zi‐Kui Liu · 2004 · Calphad
85. Origin of dramatic oxygen solute strengthening effect in titanium
    Qian Yu, Liang Qi, Tomohito Tsuru, Rachel Traylor, David J. Rugg, John William Morris Jr., Mark Asta, D. C. Chrzan, Andrew M. Minor · 2015 · Science
86. Engineering a Robust Quantum Spin Hall State in Graphene via Adatom Deposition
    Conan Weeks, Jun Hu, Jason Alicea, Marcel Franz, Ruqian Wu · 2011 · Physical Review X
87. Investigations on V2C and V2CX2 (X = F, OH) Monolayer as a Promising Anode Material for Li Ion Batteries from First-Principles Calculations
    Junping Hu, Bo Xu, Chuying Ouyang, Shengyuan A. Yang, Yugui Yao · 2014 · The Journal of Physical Chemistry C
88. Electrochemical surface passivation of LiCoO2 particles at ultrahigh voltage and its applications in lithium-based batteries
    Jiawei Qian, Lei Liu, Jixiang Yang, Siyuan Li, Xiao Wang, Houlong L. Zhuang, Yingying Lü · 2018 · Nature Communications
89. Atomically dispersed cobalt catalyst anchored on nitrogen-doped carbon nanosheets for lithium-oxygen batteries
    Peng Wang, Yingying Ren, Rutao Wang, Peng Zhang, Mingjie Ding, Caixia Li, Danyang Zhao, Zhao Qian, Zhiwei Zhang, Luyuan Zhang et al. · 2020 · Nature Communications
90. Hedgehog spin texture and Berry’s phase tuning in a magnetic topological insulator
    Xu, Su-Yang, Neupane, Madhab, Liu, Chang, Zhang, Duming, Richardella, Anthony, Andrew Wray, L., Alidoust, Nasser, Leandersson, Mats, Balasubramanian, Thiagarajan, Sánchez-Barriga, Jaime et al. · 2012 · Nature Physics
91. Polaronic hole localization and multiple hole binding of acceptors in oxide wide-gap semiconductors
    Stephan Lany, Alex Zunger · 2009 · Physical Review B
92. Adaptive machine learning framework to accelerate ab initio molecular dynamics
    Venkatesh Botu, Rampi Ramprasad · 2014 · International Journal of Quantum Chemistry
93. Manipulation of the large Rashba spin splitting in polar two-dimensional transition-metal dichalcogenides
    Qun-Fang Yao, Jia Yuan Cai, Wen‐Yi Tong · 2017 · Physical review. B./Physical review. B
94. Machine-Learning-Assisted Accurate Band Gap Predictions of Functionalized MXene
    Arunkumar Chitteth Rajan, Avanish Mishra, Swanti Satsangi, Rishabh Vaish, Hiroshi Mizuseki, Kwang‐Ryeol Lee, Abhishek Kumar Singh · 2018 · Chemistry of Materials
95. Why nitrogen cannot lead to p-type conductivity in ZnO
    John L. Lyons, Anderson Janotti, Chris G. Van de Walle · 2009 · Applied Physics Letters
96. Lattice Anharmonicity and Thermal Conductivity from Compressive Sensing of First-Principles Calculations
    Fei Zhou, Weston Nielson, Yi Xia, Vidvuds Ozoliņš · 2014 · Physical Review Letters
97. A Systematic Investigation of p-Nitrophenol Reduction by Bimetallic Dendrimer Encapsulated Nanoparticles
    Zachary D. Pozun, Stacia E. Rodenbusch, Emily Keller, Kelly Tran, Wenjie Tang, Keith J. Stevenson, Graeme Henkelman · 2013 · The Journal of Physical Chemistry C
98. Hydroxide promotes carbon dioxide electroreduction to ethanol on copper via tuning of adsorbed hydrogen
    Mingchuan Luo, Ziyun Wang, Yuguang Li, Jun Li, Fengwang Li, Yanwei Lum, Dae‐Hyun Nam, Bin Chen, Joshua Wicks, Aoni Xu et al. · 2019 · Nature Communications
99. Dual optimization approach to Mo single atom dispersed g-C3N4 photocatalyst: Morphology and defect evolution
    Chen Zhang, Deyu Qin, Yin Zhou, Fanzhi Qin, Hou Wang, Wenjun Wang, Yang Yang, Guangming Zeng · 2021 · Applied Catalysis B: Environmental
100. A selective Au-ZnO/TiO2 hybrid photocatalyst for oxidative coupling of methane to ethane with dioxygen
     Shuang Song, Hui Song, Luming Li, Shengyao Wang, Wei Chu, Kang Peng, Xianguang Meng, Qi Wang, Bowen Deng, Qianxia Liu et al. · 2021 · Nature Catalysis