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78 积分 2024-05-16 加入
Exploration of Dual-Atom Catalysts for CO2 Reduction Reaction Under Varying Potentials Using First-Principles and Machine Learning Approaches
3小时前
已完结
Coordination-modulated nonplanar penta-graphene as the electronic structural lever for CO 2 RR activity and selectivity in dual-atom catalysts
3小时前
待确认
Rational design of metal-single-atom decorated CaTaO 2 N as multifunctional photocatalysts for water splitting and CO 2 reduction
3小时前
待确认
Large-Scale DFT Calculations on Size and Site Dependences of Atomic and Electronic Structures in Metallic Nanoparticle Catalysts
17天前
已关闭
Modeling stoichiometric and oxygen defective TiO2 anatase bulk and (101) surface: structural and electronic properties from hybrid DFT
20天前
已完结
Modeling the noble metal/TiO2 (110) interface with hybrid DFT functionals: A periodic electrostatic embedded cluster model study
28天前
已完结
Role of Metal/Oxide Interfaces in Enhancing the Local Oxide Reducibility
29天前
已完结
Adsorption sites of single noble metal atoms on the rutile TiO2(1 1 0) surface influenced by different surface oxygen vacancies
29天前
已完结
The Influence of the Oxygen Vacancies on the Pt/TiO2 Single-atom Catalyst – a DFT Study
29天前
已完结
Adsorption sites of single noble metal atoms on the rutile TiO2(1 1 0) surface influenced by different surface oxygen vacancies
29天前
已完结
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