フォロー
David Samuel Rivera Rocabado
David Samuel Rivera Rocabado
確認したメール アドレス: hiroshima-u.ac.jp
タイトル
引用先
引用先
Electronic structure and phase stability of Pt3M (M= Co, Ni, and Cu) bimetallic nanoparticles
DSR Rocabado, Y Nanba, M Koyama
Computational Materials Science 184, 109874, 2020
132020
The effect of SnO2(110) supports on the geometrical and electronic properties of platinum nanoparticles
DS Rivera Rocabado, T Ishimoto, M Koyama
SN Applied Sciences 1, 1-15, 2019
122019
Inversely polarized thermo-electrochemical power generation via the reaction of an organic redox couple on a TiO2/Ti mesh electrode
H Eguchi, T Kobayashi, T Yamada, DSR Rocabado, T Ishimoto, ...
Scientific reports 11 (1), 13929, 2021
102021
Adsorption States of N2/H2 Activated on Ru Nanoparticles Uncovered by Modulation–Excitation Infrared Spectroscopy and Density Functional Theory Calculations
DS Rivera Rocabado, TG Noguchi, S Hayashi, N Maeda, M Yamauchi, ...
ACS nano 15 (12), 20079-20086, 2021
92021
Density Functional Theory and Machine Learning Description and Prediction of Oxygen Atom Chemisorption on Platinum Surfaces and Nanoparticles
DS Rivera Rocabado, Y Nanba, M Koyama
ACS omega 6 (27), 17424-17432, 2021
92021
Uncovering the Mechanism of the Hydrogen Poisoning on Ru Nanoparticles via Density Functional Theory Calculations
DS Rivera Rocabado, M Aizawa, TG Noguchi, M Yamauchi, T Ishimoto
Catalysts 12 (3), 331, 2022
82022
Hydrogen absorption and diffusion behaviors in cube-shaped palladium nanoparticles revealed by ambient-pressure X-ray photoelectron spectroscopy
J Tang, O Seo, DSR Rocabado, T Koitaya, S Yamamoto, Y Nanba, ...
Applied Surface Science 587, 152797, 2022
72022
Density functional theory study on the catalytic properties of BaTiO3 as solid oxide fuel cell anode
DS Rivera, T Ishimoto, M Koyama
ECS Transactions 57 (1), 2723, 2013
52013
Hydrogen/deuterium transfer from anisole to methoxy radicals: A theoretical study of a deuterium-labeled drug model
Y Kimura, Y Kanematsu, H Sakagami, DS Rivera Rocabado, T Shimazaki, ...
The Journal of Physical Chemistry A 126 (1), 155-163, 2022
32022
First-principles study on alloy nanoparticles for polymer electrolyte fuel cell catalyst
Y Nanba, DSR Rocabado, T Ishimoto, M Koyama
ECS Transactions 75 (14), 717, 2016
32016
Exploring the Impact of H/D Isotope Effects of Hydrogen Bond Properties in Water Dimer, Trimer, and Water Adsorption on the Ice Ih (0001) Surface
Y Shimohata, H Sakagami, Y Kanematsu, DS Rivera Rocabado, ...
The Journal of Physical Chemistry C 127 (50), 24316-24323, 2023
12023
Modelling the dynamic physical properties of vulcanised polymer models by molecular dynamics simulations and machine learning
K Yoshida, Y Kanematsu, DSR Rocabado, T Ishimoto
Computational Materials Science 221, 112081, 2023
12023
Theoretical Approach to the Sulfidation of the BaTiO3(001) Surfaces and Its Effect on the H2 Oxidation Reaction and CH4 Sequential Dissociation
DS Rivera Rocabado, T Ishimoto, M Koyama
The Journal of Physical Chemistry C 122 (3), 1437-1446, 2018
12018
Theoretical study of inorganic carbonaceous species reaction with the surfaces of BaTiO3 (001)
DSR Rocabado, T Ishimoto, T Quang-Tuyen, Y Shiratori, M Koyama
ECS Transactions 68 (1), 3177, 2015
12015
Theoretical evaluation of surface oxidation effects on resin dynamics at the carbon fibre-resin interface
I Idemoto, Y Kanematsu, DSR Rocabado, T Ishimoto
Materials Today Communications, 108379, 2024
2024
Predicting CO Interaction and Activation on Inhomogeneous Ru Nanoparticles Using Density Functional Theory Calculations and Machine Learning Models
DS Rivera Rocabado, M Aizawa, T Ishimoto
The Journal of Physical Chemistry C 127 (47), 23010-23022, 2023
2023
Definitive adsorption states of intermediates on Ru nanocatalysts for progress of ammonia synthesis discovered by modulation excitation spectroscopy under reaction conditions
TG Noguchi, DSR Rocabado, Y Kojo, A Oyabe, T Ishimoto, M Yamauchi
Journal of Catalysis 426, 301-307, 2023
2023
Quantum Effects of Hydrogen Nuclei on the Nuclear Magnetic Shielding Tensor of Ice Ih
Y Shimohata, Y Kanematsu, DS Rivera Rocabado, T Ishimoto
The Journal of Physical Chemistry A 127 (39), 8025-8031, 2023
2023
Computational analysis of H/D isotope effect on adsorption of water and its dissociated species on Pt (111) surface
K Nasu, H Sakagami, Y Kanematsu, DS Rivera Rocabado, T Shimazaki, ...
AIP Advances 13 (6), 2023
2023
First-Principles Calculations of Stability, Electronic Structure, and Sorption Properties of Nanoparticle Systems
GV HUERTA, Y NANBA, NDB ZULKIFLI, DSR ROCABADO, T ISHIMOTO, ...
Journal of Computer Chemistry, Japan 20 (2), 23-47, 2021
2021
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