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34 积分 2025-01-06 加入
Hydroxy and surface oxygen effects on 5-hydroxymethylfurfural oxidation to 2,5-furandicarboxylic acid on β-MnO 2 : DFT, microkinetic and experiment studies
15天前
已完结
Adsorption mechanism of Co-doped 13X molecular sieve for acrolein: Experiments and DFT calculations
15天前
已完结
Engineering Ti–S double vacancies for dopant coupling in Ti2NS2 MXene single-atom catalysts toward efficient hydrogen evolution: A DFT study
1个月前
已完结
Engineering Ti–S double vacancies for dopant coupling in Ti2NS2 MXene single-atom catalysts toward efficient hydrogen evolution: A DFT study
1个月前
已完结
Toward Rational Design of NRR Catalysts: Deciphering the Behavior of N x H y * Intermediates at the Electrocatalytic Interface
2个月前
已完结
The Role of Surface Science in Electrocatalysis
2个月前
已关闭
Chalcogen Vacancy Engineering in 1T-TiS₂, 1T-TiSe₂ and 1T-TiTe₂ Monolayers for Enhanced HER Activity: A DFT Study
2个月前
已关闭
Entropy‐Driven Highly Chaotic MXene‐Based Heterostructures as an Efficient Sulfur Redox Electrocatalysts for Li‐S Battery
2个月前
已完结
First Principles Study of TiS2/Graphene Heterojunction as Cathode Material for Sodium–Sulfur Batteries
2个月前
已完结
Single-atom (Co/Pt) anchored on defective g-C₃N₄ for efficient CO₂ reduction: A DFT study
2个月前
已完结
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