Pablo Gamallo

Universitat de Barcelona

H指数:25

被引数:2,147

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DFT and microkinetic modeling study for the catalytic CO₂ hydrogenation on small Ru clusters encapsulated in Silicalite

密度泛函理论和微观动力学模型研究用于封装在Silicalite中的小尺寸Ru团簇催化CO<sub>2</sub>氢化反应

Journal of CO2 Utilization

IF8.4

2026-10-230

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

ACS Catalysis

IF13.1

2026-06-040

Engineering high-capacity hydrogen storage in pristine Ca12O12 nanocages via cooperative adsorption

通过协同吸附在原始Ca12O12纳米笼中实现高容量氢存储

New J. Chem.

IF0

2025-11-280

OAAI

Efficient H2/CO separation from syngas using grazyne membranes: A combined density functional and molecular dynamics study

使用graphyne膜从合成气中高效分离H2/CO：一项结合密度泛函和分子动力学的联合研究

International Journal of Hydrogen Energy

IF8.3

2025-11-150

PRE

N-doped grazyne-supported transition metal single atoms as hydrogen evolution reaction electrocatalysts

N掺杂石墨炔支持的过渡金属单原子作为析氢反应电催化剂

International Journal of Hydrogen Energy

IF8.3

2025-11-080

PRE

Selective O2/N2 Separation Using Grazyne Membranes: A Computational Approach Combining Density Functional Theory and Molecular Dynamics

使用Grazyne膜进行选择性O2/N2分离: 结合密度泛函理论和分子动力学的计算方法

NANOMATERIALS

IF4.3

2024-12-220

OAAI

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 CO2 Harvesting from N2 Using Grazyne Membranes

CHEMSUSCHEM

IF6.6

2024-06-041

OAAI

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

ACS CATALYSIS

IF13.1

2024-01-301

OAAI

Thermodynamic, kinetic and dynamic aspects of biogas upgrading using nano-engineered grazynes

JOURNAL OF CO2 UTILIZATION

IF8.4

2023-05-014

OAAI

Using statistical analysis to create a new database of Nanofluids? specific heat capacity

JOURNAL OF MOLECULAR LIQUIDS

IF5.2

2023-01-010

OAAI

Effect of Nanoparticles on the Thermal Stability and Reaction Kinetics in Ionic Nanofluids

NANOMATERIALS

IF4.3

2022-05-238

OAAI

Novel sampling procedure and statistical analysis for the thermal characterization of ionic nanofluids

JOURNAL OF MOLECULAR LIQUIDS

IF5.2

2022-02-013

OAAI

Zeolite-encapsulated single-atom catalysts for efficient CO2 conversion

JOURNAL OF CO2 UTILIZATION

IF8.4

2021-12-0112

OAAI

Understanding the abnormal thermal behavior of nanofluids through infrared thermography and thermo-physical characterization

SCIENTIFIC REPORTS

IF3.9

2021-03-017

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

ACS CATALYSIS

IF13.1

2020-06-1858

PREAI

Effect of nanoparticles in molten salts - MD simulations and experimental study

RENEWABLE ENERGY

IF9.1

2020-06-0135

OAAI

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

Pablo Gamallo

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