From ultrasoft pseudopotentials to the projector augmented-wave method
Kresse, G., Joubert, D.·1999·Physical Review B
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Items 601–700 of 1,098
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- Production of Highly Monolayer Enriched Dispersions of Liquid-Exfoliated Nanosheets by Liquid Cascade CentrifugationClaudia 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
- Switching charge transfer of C3N4/W18O49 from type-II to Z-scheme by interfacial band bending for highly efficient photocatalytic hydrogen evolutionZhen‐Feng Huang, Jiajia Song, Xin Wang, Lun Pan, Ke Li, Xiangwen Zhang, Li Wang, Ji‐Jun Zou · 2017 · Nano Energy
- Hydrogenated Cs2AgBiBr6 for significantly improved efficiency of lead-free inorganic double perovskite solar cellZeyu Zhang, Qingde Sun, Yue Lu · 2022 · Nature Communications
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- Activating the hydrogen evolution and overall water splitting performance of NiFe LDH by cation doping and plasma reductionYuanhao Tang, Qian Liu, Lin Dong, Hao Bin Wu, Xin‐Yao Yu · 2020 · Applied Catalysis B: Environmental
- Microtwinning and other shearing mechanisms at intermediate temperatures in Ni-based superalloysLibor Kovařík, Raymond R. Unocic, Ju Li · 2009 · Progress in Materials Science
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- First-principles thermodynamics from phonon and Debye model: Application to Ni and Ni3AlShun‐Li Shang, Yi Wang, DongEung Kim, Zi‐Kui Liu · 2009 · Computational Materials Science
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- Chalcogenide Perovskites for PhotovoltaicsYi‐Yang Sun, Michael L. Agiorgousis, Peihong Zhang · 2014 · Nano Letters
- Valence and Conduction Band Densities of States of Metal Halide Perovskites: A Combined Experimental–Theoretical StudyJames J. Endres, David A. Egger, Michael Kulbak, Ross A. Kerner, Lianfeng Zhao, Scott H. Silver, Gary Hodes, Barry P. Rand, David Cahen, Leeor Kronik et al. · 2016 · The Journal of Physical Chemistry Letters
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- Towards identifying the active sites on RuO 2 (110) in catalyzing oxygen evolutionReshma 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
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- MXenes: New Horizons in CatalysisÁngel Morales‐García, Federico Calle‐Vallejo, Francesc Illas · 2020 · ACS Catalysis
- Reversing the charge transfer between platinum and sulfur-doped carbon support for electrocatalytic hydrogen evolutionQiangqiang Yan, Daoxiong Wu, Sheng-Qi Chu, Zhi-Qin Chen, Yue Lin, Ming‐Xi Chen, Jing Zhang, Xiaojun Wu, Hai‐Wei Liang · 2019 · Nature Communications
- Cooperative carbon capture and steam regeneration with tetraamine-appended metal–organic frameworksEugene 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
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- Two-Dimensional Cu 2 Si Monolayer with Planar Hexacoordinate Copper and Silicon BondingLi-Ming Yang, Vladimir Bačić, Ivan A. Popov, Alexander I. Boldyrev, Thomas Heine, Thomas Frauenheim, Eric Ganz · 2015 · Journal of the American Chemical Society
- Origin of low thermal conductivity in SnSeYu Xiao, Cheng Chang, Yanling Pei, Di Wu, Kunling Peng, Xiaoyuan Zhou, Shengkai Gong, Jiaqing He, Yongsheng Zhang, Zhi Zeng et al. · 2016 · Physical review. B./Physical review. B
- The role of ruthenium in improving the kinetics of hydrogen oxidation and evolution reactions of platinumZhu, Shangqian, Qin, Xueping, Xiao, Fei, Yang, Shuangli, Xu, Yuan, Tan, Zhuo, Li, Jiadong, Yan, Jiawei, Chen, Qing, Chen, Mingshu et al. · 2021 · Nature Catalysis
- Cu 2 ZnSnS 4 as a potential photovoltaic material: A hybrid Hartree-Fock density functional theory studyJoachim A. Paier, Ryoji Asahi, Akihiro Nagoya, Georg Kresse · 2009 · Physical Review B
- Enhanced piezoelectric effect in Janus group-III chalcogenide monolayersYu Yang Guo, Si Zhou, Yizhen Bai, Jijun Zhao · 2017 · Applied Physics Letters
- Platinum-nickel alloy excavated nano-multipods with hexagonal close-packed structure and superior activity towards hydrogen evolution reactionZhenming 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
- A highly CO-tolerant atomically dispersed Pt catalyst for chemoselective hydrogenationLili 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
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