Dry reforming of methane on cobalt catalysts: DFT-based insights into carbon deposition versus removal YJ Wong, HH Halim, NF Khairudin, TN Pham, SEM Putra, Y Hamamoto, ... The Journal of Physical Chemistry C 125 (40), 21902-21913, 2021 | 19 | 2021 |
Adsorption of CO2 on Terrace, Step, and Defect Sites on Pt Surfaces: A Combined TPD, XPS, and DFT Study YJ Wong, YH Choi, S Tanaka, H Yoshioka, K Mukai, HH Halim, ... The Journal of Physical Chemistry C 125 (43), 23657-23668, 2021 | 11 | 2021 |
Hydrogenation of formate species using atomic hydrogen on a Cu (111) model catalyst K Takeyasu, Y Sawaki, T Imabayashi, SEM Putra, HH Halim, J Quan, ... Journal of the American Chemical Society 144 (27), 12158-12166, 2022 | 9 | 2022 |
Elucidation of Cu–Zn surface alloying on Cu (997) by machine-learning molecular dynamics HH Halim, Y Morikawa ACS Physical Chemistry Au 2 (5), 430-447, 2022 | 3 | 2022 |
Multi-scale Simulation of Equilibrium Step Fluctuations on Cu (111) Surfaces HH Halim, SEM Putra, F Muttaqien, I Hamada, K Inagaki, Y Hamamoto, ... ACS omega 6 (8), 5183-5196, 2021 | 2 | 2021 |
DFT investigation of the oxygen reduction reaction over nitrogen (N) doped graphdiyne as an electrocatalyst: the importance of pre-adsorbed OH* and the solvation effect Y Wang, TN Pham, HH Halim, L Yan, Y Morikawa Materials Advances 4 (24), 6542-6552, 2023 | 1 | 2023 |
First-Principles Microkinetic Study of NO Reduction on Cu Catalysts MR Al Fauzan, TN Pham, HH Halim, Y Hamamoto, K Inagaki, I Hamada, ... The Journal of Physical Chemistry C 127 (39), 19451-19467, 2023 | | 2023 |
Machine learning molecular dynamics simulation of CO-driven formation of Cu clusters on the Cu (111) surface HH Halim, R Ueda, Y Morikawa Journal of Physics: Condensed Matter 35 (49), 495001, 2023 | | 2023 |
The Multi-scale Simulations of the Non HH Halim 博士論文, 2023 | | 2023 |
Machine learning molecular dynamics simulation of vibration driven CO2 hydrogenation to formate on Cu (111) surface H Halim, Y Morikawa Abstract book of Annual Meeting of the Japan Society of Vacuum and Surface …, 2023 | | 2023 |
Correction: DFT investigation of the oxygen reduction reaction over nitrogen (N) doped graphdiyne as an electrocatalyst: the importance of pre-adsorbed OH* and the solvation effect Y Wang, TN Pham, HH Halim, L Yan, Y Morikawa Materials Advances 4 (23), 6449-6450, 2023 | | 2023 |
The Elucidation of Non-equilibrium States of Heterogenous Catalysis by Data-driven Multiscale Simulation: A Case Study of Methanol Synthesis HH Halim, R Ueda, Y Yuki, Y Morikawa Cybermedia HPC journal/大阪大学サイバーメディアセンター広報委員会 編, 75-78, 2023 | | 2023 |
Origin of the Surface Facet Dependence in the Thermal Degradation of the Diamond (111) and (100) Surfaces in Vacuum Investigated by Machine Learning Molecular Dynamics Simulations JIG Enriquez, HH Halim, T Yamasaki, M Michiuchi, K Inagaki, M Geshi, ... Available at SSRN 4731456, 0 | | |
Quantum Simulations on Dynamical Heterogeneous Catalysts JI ENRIQUEZ, HH HALIM, SEM PUTRA, TN PHAM, YJ WONG, ... | | |