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R

R. Sayós

Universitat de Barcelona

H指数:32

被引数:3,004

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Methane Pyrolysis on Small Ru Clusters Encapsulated in Silicalite: DFT and Microkinetic Modeling Study

在硅质石中封装的小尺寸钌团簇上的甲烷热解：DFT与微观动力学建模研究

IF13.1

2026-06-040

OA

CO2 Hydrogenation on Ru Single-Atom Catalyst Encapsulated in Silicalite: a DFT and Microkinetic Modeling Study

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2024-09-230

OAAI

On the Capabilities of Transition Metal Carbides for Carbon Capture and Utilization Technologies

ACS APPLIED MATERIALS & INTERFACES

IF8.2

2024-05-242

OAAI

Understanding the Reverse Water Gas Shift Reaction over Mo2C MXene Catalyst: A Holistic Computational Analysis

IF3.9

2024-03-126

OA

Comprehensive Density Functional and Kinetic Monte Carlo Study of CO2 Hydrogenation on a Well-Defined Ni/CeO2 Model Catalyst: Role of Eley-Rideal Reactions

IF13.1

2024-01-301

OAAI

Limitations of free energy diagrams to predict the catalytic activity: The reverse water gas shift reaction catalyzed by Ni/TiC

JOURNAL OF CATALYSIS

IF6.5

2023-09-019

OAAI

Zeolite-encapsulated single-atom catalysts for efficient CO2 conversion

JOURNAL OF CO2 UTILIZATION

IF8.4

2021-12-0112

OAAI

Assessing the Activity of Ni Clusters Supported on TiC(001) toward CO2 and H2 Dissociation

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2021-05-2816

OAAI

Interfacial behavior of binary, ternary and quaternary oil/water mixtures described from molecular dynamics simulations

JOURNAL OF MOLECULAR LIQUIDS

IF5.2

2021-02-018

OAAI

Multiscale Study of the Mechanism of Catalytic CO2 Hydrogenation: Role of the Ni(111) Facets

IF13.1

2020-06-1858

PREAI

Assessing salt-surfactant synergistic effects on interfacial tension from molecular dynamics simulations

从分子动力学模拟评估盐-表面活性剂对界面张力的协同作用

JOURNAL OF MOLECULAR LIQUIDS

IF5.2

2020-02-0140

OAAI

Combining soft-SAFT and COSMO-RS modeling tools to assess the CO2-SO2 separation using phosphonium-based ionic liquids

JOURNAL OF MOLECULAR LIQUIDS

IF5.2

2020-01-0115

OAAI

Kinetic Monte Carlo Simulations Unveil Synergic Effects at Work on Bifunctional Catalysts

IF13.1

2019-08-2934

OAAI

Assessing the usefulness of transition metal carbides for hydrogenation reactions

CHEMICAL COMMUNICATIONS

IF4.2

2019-01-0148

OAAI

Density Functional Theory-Based Adsorption Isotherms for Pure and Flue Gas Mixtures on Mg-MOF-74. Application in CO2 Capture Swing Adsorption Processes

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2018-02-1257

OAAI

Computational simulation study of the influence of faujasite Si/Al ratio on CO2 capture by temperature swing adsorption

JOURNAL OF CO2 UTILIZATION

IF8.4

2017-10-0116

OAAI

Optimal Faujasite structures for post combustion CO2 capture and separation in different swing adsorption processes

JOURNAL OF CO2 UTILIZATION

IF8.4

2017-05-0139

OAAI

Comparing the catalytic activity of the water gas shift reaction on Cu(321) and Cu(111) surfaces: Step sites do not always enhance the overall reactivity

JOURNAL OF CATALYSIS

IF6.5

2016-10-0130

OAAI

Atomic and molecular data for spacecraft re-entry plasmas

PLASMA SOURCES SCIENCE & TECHNOLOGY

IF3.3

2016-05-1779

OAAI

Kinetic Monte Carlo simulations of the water gas shift reaction on Cu (111) from density functional theory based calculations

基于密度泛函理论的Cu (111) 水煤气变换反应的动力学蒙特卡罗模拟

JOURNAL OF CATALYSIS

IF6.5

2016-01-0159

OAAI