المؤلفون: Zhaoyong Jin, Meiqi Yang, Yilong Dong, Xingcheng Ma, Ying Wang, Jiandong Wu, Jinchang Fan, Dewen Wang, Rongshen Xi, Xiao Zhao, Tianyi Xu, Jingxiang Zhao, Lei Zhang, David J. Singh, Weitao Zheng, Xiaoqiang Cui

المصدر: Nano-Micro Letters, Vol 16, Iss 1, Pp 1-13 (2023)

مصطلحات موضوعية: CO2 reduction reaction, Atomic dispersed catalyst, Hetero-diatomic pair, Ad-desorption energy, Linear scaling relation, Technology

وصف الملف: electronic resource

العلاقة: https://doaj.org/toc/2311-6706Test; https://doaj.org/toc/2150-5551Test

الوصول الحر: https://doaj.org/article/985533e6099d4305b5666cc0c34a87bdTest

المؤلفون: Wu Shu, Jiancong Li, Jin-Xun Liu, Chuwei Zhu, Tairan Wang, Li Feng, Runhai Ouyang, Wei-Xue Li

مصطلحات موضوعية: Biophysics, Biochemistry, Genetics, Evolutionary Biology, Astronomical and Space Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, linear scaling relation, interpretable machine learning, diverse chemical bonds, 17 different facets, 10 transition metals, specific metal catalysts, coordinated number mediated, metal catalysts revealed, principles data set, metal catalysts, data set, principles calculations, insights revealed, supported catalysts, efficient catalysts, valence electrons, successfully address, structure term, structure sensitivity, structure descriptor, steric hindrance, reaction barriers

الوقت: almost one century

العلاقة: https://figshare.com/articles/journal_contribution/Structure_Sensitivity_of_Metal_Catalysts_Revealed_by_Interpretable_Machine_Learning_and_First-Principles_Calculations/25408350Test

الإتاحة: https://doi.org/10.1021/jacs.4c01524.s001Test

المؤلفون: Yang, Haoyu

مصطلحات موضوعية: Adsorption Energy, CO2 Reduction Reaction, Convolutional Neural Network, Density Functional Theory, Descriptor, Electronic Density of States, Linear Scaling Relation, Limiting Potential, Single-Atom Catalyst, Two-Dimensional

وصف الملف: application/pdf

العلاقة: https://eprints.qut.edu.au/241290/1/Haoyu%2BYang-Thesis.pdfTest; Yang, Haoyu (2023) Descriptor-guided screening and understanding of 2D substrate supported single atomic CO2RR electrocatalysts. Master of Philosophy thesis, Queensland University of Technology.; https://eprints.qut.edu.au/241290Test/; Faculty of Science; School of Chemistry & Physics

الإتاحة: https://doi.org/10.5204/thesis.eprints.241290Test
https://eprints.qut.edu.au/241290Test/

المؤلفون: Chunli Liu, Gaomou Xu, Tao Wang

مصطلحات موضوعية: Biophysics, Biochemistry, Biotechnology, Marine Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, three hydrogen sources, theoretical approach toward, provide crucial guidance, mild reaction condition, linear scaling relation, haber – bosch, h – b, nitrogen binding energy, art zeolite catalysts, fcc ru catalyst, 0 – 2, 2 , zeolite catalyst, x <, energy barrier, catalyst shows, worth noting, today ’, synthesizing state, sub ><, still challenging, stepped sites, solid basis

العلاقة: https://figshare.com/articles/journal_contribution/Theoretical_Approach_toward_a_Mild_Condition_Haber_Bosch_Process_on_the_Zeolite_Catalyst_with_Confined_Dual_Active_Sites/24520714Test

الإتاحة: https://doi.org/10.1021/jacsau.3c00546.s001Test
https://figshare.com/articles/journal_contribution/Theoretical_Approach_toward_a_Mild_Condition_Haber_Bosch_Process_on_the_Zeolite_Catalyst_with_Confined_Dual_Active_Sites/24520714Test

المؤلفون: Fan Liu, Ruijie Gao, Chengxiang Shi, Lun Pan, Zhen-Feng Huang, Xiangwen Zhang, Ji-Jun Zou

مصطلحات موضوعية: Biophysics, Biochemistry, Cell Biology, Neuroscience, Developmental Biology, Chemical Sciences not elsewhere classified, theoretical calculations demonstrate, mn site within, linear scaling relation, insurmountable overpotential ceiling, hydrogen fuel cells, dynamic reaction pathway, different crystal phases, adaptive bonding interactions, abundant metal oxides, 287 mw cm, inherent sabatier ’, avoiding sabatier ’, highly efficient atomic, atomic pair sites, 2 , low pt loading, sabatier optimum, highly active, efficient electrocatalysts, benchmark pt, work reveals, wave potential, using earth, rational design

العلاقة: https://figshare.com/articles/journal_contribution/Avoiding_Sabatier_s_Limitation_on_Spatially_Correlated_Pt_Mn_Atomic_Pair_Sites_for_Oxygen_Electroreduction/24558305Test

الإتاحة: https://doi.org/10.1021/jacs.3c08665.s001Test
https://figshare.com/articles/journal_contribution/Avoiding_Sabatier_s_Limitation_on_Spatially_Correlated_Pt_Mn_Atomic_Pair_Sites_for_Oxygen_Electroreduction/24558305Test