Paper

2023

Machine learning molecular dynamics simulation of CO-driven formation of Cu clusters on the Cu(111) surface

H. H. Halim, R. Ueda, and Y. Morikawa
J. Phys. Condens. Matter 35, 495001 (2023).  

First-principles microkinetic study of NO reduction on Cu catalysts2 reduction

M. Al Fauzan, T. Pham; H. H. Halim, Y. Hamamoto, K. Inagaki, I. Hamada, and Y. Morikawa
J. Phys. Chem. C 127, 19451-19467 (2023).  

Acetylcholine Conformational Flexibility and Its Neutral Hydrolysis in Aqueous Solution

R. N. Fadilla, F. Rusydi, R. Madinah, H. K. Dipojono, F. Ahmad, M. Mudasir, I. Puspitasari, Y. Morikawa
ChemistrySelect 8, e202204151 (2023).

ZnO with Engineered Surface Defects as A Competent Photocatalyst for CO2 Photoreduction into Valuable Fuels Under Simulated Solar Light Irradiation

R. A. Mahmud, K. A. Ali, L. K. Putri, Y. Morikawa, A. R. Mohamed
J. Environ. Chem. Eng. 11, 109637 (2023).