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A

Aleix Comas‐Vives

tu wien

41H指数
155论文数
6.6K被引数
收录论文 65
发表时间
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The Role of Zn–Hf Site Proximity and Oxygen Vacancies for Methanol Formation Over ZnHfOx Catalysts Under CO2 Hydrogenation ConditionsZn–Hf位邻近性和氧空位在CO2加氢条件下ZnHfOx催化剂上甲醇生成中的作用
errAngewandte Chemie International Edition
IF16.9
err2026-06-30
err0
errOAAI
errAlexander Oing; Diana Piankova; Jean C. Villa-Arpi; Muhammad Helmi Risansyauqi; Hector Prats; Felix Donat; Paula M. Abdala; Aleix Comas-Vives; Christoph R. Müller
err分享
err收藏
Explainable GNN framework guided by local chemical features to predict binding energies in bimetallic alloys可解释的GNN框架，通过局部化学特征预测双金属合金中的结合能
errnpj Computational Materials
IF11.9
err2026-04-16
err0
errOAAI
errA. F. Usuga; C. S. Praveen; A. Comas-Vives
err分享
err收藏
How the nature of the promoter –Ga vs. Zn – shapes copper-based co2 hydrogenation catalyst structures evaluated via metadynamics助催化剂的性质——Ga与Zn——如何通过元动力学评估影响铜基CO2加氢催化剂的结构
errJournal of Catalysis
IF6.5
err2026-02-12
err0
errOAAI
errA. Müller; Christophe Copéret; Aleix Comas-Vives
err分享
err收藏
How Realistic Are Idealized Copper Surfaces? A Machine Learning Study of Rough Copper-Water Interfaces
errACS MATERIALS AU
IF6.5
err2026-01-01
err0
PREAI
errErhard, Linus C.; Schorghuber, Johannes; Comas-Vives, Aleix; Madsen, Georg K. H.
err分享
err收藏
Nature and Dynamics of Active Sites in Cu-Based Catalysts for the CO2 Hydrogenation to Methanol
errACCOUNTS OF CHEMICAL RESEARCH
IF17.7
err2025-12-01
err0
PREAI
errComas-Vives, Aleix; Coperet, Christophe
err分享
err收藏
PtZn Versus PtGa in CO2 Hydrogenation: When Alloy Stability and Redox Dynamics Drive Selectivity
errCCS CHEMISTRY
IF9.2
err2025-12-01
err1
PREAI
errZhou, Wei; Praveen, C. S.; Wang, Wei; He, Chenxi; Toyao, Takashi; Shimizu, Ken-ichi; Toyoshima, Ryo; Kondoh, Hiroshi; Wang, Yuhao; Wang, Chunliang; Paterson, James; Southouse, Jamie; Pauletti, Carlo Federico; Comas-Vives, Aleix; Coperet, Christophe
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How Does the Ni–Ga Alloy Structure Tune Methanol Productivity and Selectivity?Ni–Ga合金结构如何调控甲醇产率和选择性？
errACS Catalysis
IF13.1
err2025-08-01
err0
errOAAI
errNora K. Zimmerli; Andrés F. Usuga; Stefano Checchia; Aleix Comas-Vives; Christoph R. Müller; Paula M. Abdala
err分享
err收藏
Key Descriptors of Single-Atom Catalysts Supported on MXenes (Mo2C, Ti2C) Determining CO2 Activation负载在MXenes (Mo2C, Ti2C)上的单原子催化剂的关键描述符，决定CO2活化
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2025-04-23
err0
errOAAI
errVidal-Lopez, Anna; Mahringer, Judith; Comas-Vives, Aleix
err分享
err收藏
The Impact of Oxygen Surface Coverage and Carbidic Carbon on the Activity and Selectivity of Two-Dimensional Molybdenum Carbide (2D-Mo2C) in Fischer-Tropsch Synthesis氧表面覆盖率和碳碳对费托合成中二维碳化钼 (2D-Mo2C) 的活性和选择性的影响
errACS CATALYSIS
IF13.1
err2024-01-19
err2
errOAAI
errKountoupi, Evgenia; Barrios, Alan J.; Chen, Zixuan; Mu''ller, Christoph R.; Ordomsky, Vitaly V.; Comas-Vives, Aleix; Fedorov, Alexey
err分享
err收藏
Metadynamics simulations reveal alloying-dealloying processes for bimetallic PdGa nanoparticles under CO2 hydrogenation
errCHEMICAL SCIENCE
IF7.4
err2024-01-01
err1
errOAAI
errBaumgaertner, Julian F.; Mueller, Andreas; Docherty, Scott R.; Comas-Vives, Aleix; Payard, Pierre-Adrien; Coperet, Christophe
err分享
err收藏
Enhanced catalytic performance of single-atom Cu on Mo2C toward CO2/CO hydrogenation to methanol: a first-principles study
errCATALYSIS SCIENCE & TECHNOLOGY
IF4.2
err2024-01-01
err1
errOAAI
errVidal-Lopez, Anna; Lopez, Estefania Diaz; Comas-Vives, Aleix
err分享
err收藏
Local descriptors-based machine learning model refined by cluster analysis for accurately predicting adsorption energies on bimetallic alloys
errJOURNAL OF MATERIALS CHEMISTRY A
IF9.5
err2024-01-01
err2
errOAAI
errUsuga, A. F.; Praveen, C. S.; Comas-Vives, A.
err分享
err收藏
Theoretical study of the catalytic performance of Fe and Cu single-atom catalysts supported on Mo2C toward the reverse water-gas shift reaction
errFRONTIERS IN CHEMISTRY
IF4.2
err2023-03-20
err6
errOAAI
errZhang, Wenjuan; Vidal-Lopez, Anna; Comas-Vives, Aleix
err分享
err收藏
Cycloaddition of CO2 to epoxides around water: a strategy to apply and recycle efficient water-soluble bio-based organocatalysts in biphasic media
errGREEN CHEMISTRY
IF9.2
err2023-01-01
err23
PREAI
errTheerathanagorn, Tharinee; Vidal-Lopez, Anna; Comas-Vives, Aleix; Poater, Albert; D'Elia, Valerio
err分享
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Highly dispersed Rh single atoms over graphitic carbon nitride as a robust catalyst for the hydroformylation reaction
errCATALYSIS SCIENCE & TECHNOLOGY
IF4.2
err2023-01-01
err19
errOAAI
errJurado, Lole; Esvan, Jerome; Luque-Alvarez, Ligia A. A.; Bobadilla, Luis F. F.; Odriozola, Jose A.; Posada-Perez, Sergio; Poater, Albert; Comas-Vives, Aleix; Axet, M. Rosa
err分享
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CO2 activation dominating the dry reforming of methane catalyzed by Rh(111) based on multiscale modelling
errCATALYSIS SCIENCE & TECHNOLOGY
IF4.2
err2023-01-01
err2
errOAAI
errDiaz Lopez, Estefania; Comas-Vives, Aleix
err分享
err收藏
Kinetic Monte Carlo simulations of the dry reforming of methane catalyzed by the Ru (0001) surface based on density functional theory calculations
errCATALYSIS SCIENCE & TECHNOLOGY
IF4.2
err2022-01-01
err3
PREAI
errDiaz Lopez, Estefania; Comas-Vives, Aleix
err分享
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Ga and Zn increase the oxygen affinity of Cu-based catalysts for the COx hydrogenation according to ab initio atomistic thermodynamics
errCHEMICAL SCIENCE
IF7.4
err2022-01-01
err7
errOAAI
errMueller, Andreas; Comas-Vives, Aleix; Coperet, Christophe
err分享
err收藏
Understanding the Olefin Polymerization Initiation Mechanism by Cr(III)/SiO2 Using the Activation Strain Model
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2021-12-29
err8
PREAI
errNunez-Zarur, Francisco; Comas-Vives, Aleix
err分享
err收藏
Dynamics and Site Isolation: Keys to High Propane Dehydrogenation Performance of Silica-Supported PtGa Nanoparticles动力学和位点隔离: 二氧化硅负载的PtGa纳米颗粒的高丙烷脱氢性能的关键
errJACS AU
IF8.7
err2021-07-28
err41
errOAAI
errPayard, P-A; Rochlitz, L.; Searles, K.; Foppa, L.; Leuthold, B.; Safonova, O., V; Comas-Vives, A.; Coperet, C.
err分享
err收藏

研究方向

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合作学者
合作期刊
A
Avelino Corma
H 指数: 181 · 论文数: 1.9K
M
Maksym V. Kovalenko
H 指数: 112 · 论文数: 853
L
Lyndon Emsley
H 指数: 106 · 论文数: 739
C
Christophe Copéret
H 指数: 99 · 论文数: 1.1K
K
Ken‐ichi Shimizu
H 指数: 95 · 论文数: 1.2K
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