日期:
2020 年 — 2026 年
2020
2021
2022
2023
2024
2025
2026
影响因子:

Selective Hydrodemethylation of Methylalkylbenzenes on Potassium Hydride

氢化钾催化甲基烷基苯的选择性加氢脱甲基反应

Tian, Puyang; Figueras-Valls, Marc; Chang, Fei; Viñes, Francesc; Illas, Francesc; Fedorov, Alexey

MXenes Spontaneously Form Active and Selective Single-Atom Centers under Anodic Polarization Conditions

MXene在阳极极化条件下自发形成活性和选择性单原子中心

Razzaq, Samad; Faridi, Shohreh; Kenmoe, Stephane; Usama, Muhammad; Singh, Diwakar; Meng, Ling; Vines, Francesc; Illas, Francesc; Exner, Kai S

Understanding the Curvature Effect on the Structure and Bonding of MoC(y) Nanoparticles on Carbon Supports

了解曲率效应对碳载体上 MoC(y) 纳米粒子结构和键合的影响

Cao, Wei; Figueras-Valls, Marc; Viñes, Francesc; Illas, Francesc

Conventional versus Unconventional Oxygen Reduction Reaction Intermediates on Single Atom Catalysts

单原子催化剂上常规与非常规氧还原反应中间体的比较

Jangjooye Shaldehi, Tahereh; Rowshanzamir, Soosan; Exner, Kai S; Viñes, Francesc; Illas, Francesc

Insight into the prospects and limitations of mechanochemically-synthesised lithium tetrahalogallates, LiGaX(4) (X = Cl, Br, I), as Li-ion conductors

深入探讨机械化学合成的四卤镓酸锂LiGaX(4) (X = Cl, Br, I)作为锂离子导体的前景和局限性

Flores-González, Nicolás; López, Martí; Minafra, Nicolò; Jack, Jamie; Bohnenberger, Jan; Inoishi, Atsushi; Gupta, Nalin; Liborio, Leandro; Viñes, Francesc; Smith, Ronald I; Baker, Peter J; Krossing, Ingo; Zeier, Wolfgang G; Illas, Francesc; Gregory, Duncan H

Machine Learning Potential Analysis of Structural Transition in Cu and Ag Nanoparticles: From Icosahedral to Face-Centered Cubic

利用机器学习分析铜和银纳米粒子的结构转变潜力:从二十面体到面心立方

Yang, Yongpeng; Han, Jingli; Viñes, Francesc; Illas, Francesc

Correction to "Machine Learning Potential Analysis of Structural Transition in Cu and Ag Nanoparticles: From Icosahedral to Face-Centered Cubic"

对“Cu和Ag纳米粒子结构转变的机器学习潜力分析:从二十面体到面心立方”一文的更正

Yang, Yongpeng; Han, Jingli; Viñes, Francesc; Illas, Francesc

Density Functional Theory (DFT) and Time-Dependent DFT (TDDFT) Studies of Porphyrin Adsorption on Graphene: Insights on the Effect of Substituents and Central Metal on Adsorption Energies

利用密度泛函理论(DFT)和含时密度泛函理论(TDDFT)研究卟啉在石墨烯上的吸附:揭示取代基和中心金属对吸附能的影响

Gara, Rayene; Morales-García, Ángel; Arfaoui, Youssef; Illas, Francesc

Stability of Single-Atom Centers of MXenes under Anodic Polarization Conditions

MXene单原子中心在阳极极化条件下的稳定性

Meng, Ling; Viñes, Francesc; Illas, Francesc; Exner, Kai S

Computational Investigation of Structure and Bonding of In(2)O(3) Surfaces: Relevance to CO(2) Hydrogenation

In₂O₃表面结构和键合的计算研究:与CO₂氢化的相关性

Kapse, Samadhan; Viñes, Francesc; Illas, Francesc