[1] |
Yaowu Luo, Dingsheng Wang.
Enhancing Heterogeneous Catalysis by Electronic Property Regulation of Single Atom Catalysts
[J]. Acta Phys. -Chim. Sin., 2023, 39(9): 2212020-0.
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[2] |
Tianmi Tang, Zhenlu Wang, Jingqi Guan.
Electronic Structure Regulation of Single-Site M-N-C Electrocatalysts for Carbon Dioxide Reduction
[J]. Acta Phys. -Chim. Sin., 2023, 39(4): 2208033-0.
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[3] |
Junhui Zhou, Zhimin Ao, Taicheng An.
DFT Study of the Decomposition Mechanism of H2S on V-Decorated Ti2CO2 Single-Atom Catalyst
[J]. Acta Phys. -Chim. Sin., 2021, 37(8): 2007086-.
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[4] |
Peng Chen, Ying Zhou, Fan Dong.
Advances in Regulation Strategies for Electronic Structure and Performance of Two-Dimensional Photocatalytic Materials
[J]. Acta Phys. -Chim. Sin., 2021, 37(8): 2010010-.
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[5] |
Yawen Li, Guangren Na, Shulin Luo, Xin He, Lijun Zhang.
Structural, Thermodynamical and Electronic Properties of All-Inorganic Lead Halide Perovskites
[J]. Acta Phys. -Chim. Sin., 2021, 37(4): 2007015-.
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[6] |
Tangfei Zheng, Jinxia Jiang, Jian Wang, Sufang Hu, Wei Ding, Zidong Wei.
Regulation of Electrocatalysts Based on Confinement-Induced Properties
[J]. Acta Phys. -Chim. Sin., 2021, 37(11): 2011027-.
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[7] |
Zhen Wei, Minjie Li, Wencong Lu.
Theoretical Study of High-Efficiency Organic Dyes with Different Electron-Withdrawing Groups Based on R6 toward Dye-Sensitized Solar Cells
[J]. Acta Phys. -Chim. Sin., 2021, 37(10): 1905084-.
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[8] |
Junjie Shi, Ziqi Hu, Yihao Yang, Yuxiang Bu, Zujin Shi.
Stability and Formation Mechanism of Endohedral Metal Carbonitride Clusterfullerenes
[J]. Acta Phys. -Chim. Sin., 2021, 37(10): 1907077-.
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[9] |
Shihan Li,Zhenchao Zhao,Shikun Li,Youdong Xing,Weiping Zhang.
Aluminum Distribution and Brønsted Acidity of Al-Rich SSZ-13 Zeolite: A Combined DFT Calculation and Solid-State NMR Study
[J]. Acta Physico-Chimica Sinica, 2020, 36(4): 1903021-.
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[10] |
Yiqing Wang,Shaohua Shen.
Progress and Prospects of Non-Metal Doped Graphitic Carbon Nitride for Improved Photocatalytic Performances
[J]. Acta Physico-Chimica Sinica, 2020, 36(3): 1905080-.
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[11] |
Fuzhen BI,Xiao ZHENG,Chiyung YAM.
First-Principles Study of Mixed Cation Methylammonium-Formamidinium Hybrid Perovskite
[J]. Acta Phys. -Chim. Sin., 2019, 35(1): 69-75.
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[12] |
Jinyang XI,Yuma NAKAMURA,Tianqi ZHAO,Dong WANG,Zhigang SHUAI.
Theoretical Studies on the Deformation Potential, Electron-Phonon Coupling, and Carrier Transports of Layered Systems
[J]. Acta Phys. -Chim. Sin., 2018, 34(9): 961-976.
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[13] |
Paul GEERLINGS,Frank DE PROFT,Stijn FIAS.
Analogies between Density Functional Theory Response Kernels and Derivatives of Thermodynamic State Functions
[J]. Acta Phys. -Chim. Sin., 2018, 34(6): 699-707.
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[14] |
Ulises OROZCO-VALENCIA,L. GÁZQUEZ José,Alberto VELA.
Reactivity of Indoles through the Eyes of a Charge-Transfer Partitioning Analysis
[J]. Acta Phys. -Chim. Sin., 2018, 34(6): 692-698.
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[15] |
Julia CONTRERAS-GARCíA,Weitao YANG.
Perspective: Chemical Information Encoded in Electron Density
[J]. Acta Phys. -Chim. Sin., 2018, 34(6): 567-580.
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