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Mohammad Kemal AGUSTA
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Hydrazine (N2H4) adsorption on Ni (1 0 0)–density functional theory investigation
MK Agusta, M David, H Nakanishi, H Kasai
Surface Science 604 (3-4), 245-251, 2010
622010
First principles investigations of hydrazine adsorption conformations on Ni (111) surface
MK Agusta, H Kasai
Surface science 606 (7-8), 766-771, 2012
512012
Dissociative oxygen reduction reaction mechanism on the neighboring active sites of a boron-doped Pyrolyzed Fe–N–C catalyst
AG Saputro, AK Fajrial, AL Maulana, F Fathurrahman, MK Agusta, ...
The Journal of Physical Chemistry C 124 (21), 11383-11391, 2020
392020
Selectivity of CO and NO adsorption on ZnO (0002) surfaces: A DFT investigation
AG Saputro, MK Agusta, B Yuliarto, HK Dipojono, F Rusydi, R Maezono
Applied Surface Science 410, 373-382, 2017
362017
First principles study of oxygen molecule interaction with the graphitic active sites of a boron-doped pyrolyzed Fe–N–C catalyst
AK Fajrial, AG Saputro, MK Agusta, F Rusydi, HK Dipojono
Physical Chemistry Chemical Physics 19 (34), 23497-23504, 2017
362017
Theoretical study of CO2 hydrogenation to methanol on isolated small Pdx clusters
AG Saputro, RID Putra, AL Maulana, MU Karami, MR Pradana, ...
Journal of Energy Chemistry 35, 79-87, 2019
352019
Theoretical study of hydrazine adsorption on Pt (111): Anti or cis?
MK Agusta, WA Diņo, M David, H Nakanishi, H Kasai
Surface science 605 (15-16), 1347-1353, 2011
322011
DFT and microkinetic investigation of methanol synthesis via CO 2 hydrogenation on Ni (111)-based surfaces
AL Maulana, RID Putra, AG Saputro, MK Agusta, HK Dipojono
Physical Chemistry Chemical Physics 21 (36), 20276-20286, 2019
312019
Novel mechanistic insights into methane activation over Fe and Cu active sites in zeolites: A comparative DFT study using meta-GGA functionals
MH Mahyuddin, A Staykov, AG Saputro, MK Agusta, HK Dipojono, ...
The Journal of Physical Chemistry C 124 (33), 18112-18125, 2020
252020
Density functional study of adsorptions of CO2, NO2 and SO2 molecules on Zn (0002) surfaces
AG Saputro, MK Agusta, B Yuliarto, HK Dipojono, R Maezono
Journal of Physics: Conference Series 739 (1), 012080, 2016
252016
First principles calculation on the adsorption of water on lithium–montmorillonite (Li–MMT)
TDK Wungu, MK Agusta, AG Saputro, HK Dipojono, H Kasai
Journal of Physics: Condensed Matter 24 (47), 475506, 2012
252012
DFT+ U study of H2O adsorption and dissociation on stoichiometric and nonstoichiometric CuO (1 1 1) surfaces
F Ahmad, MK Agusta, R Maezono, HK Dipojono
Journal of Physics: Condensed Matter 32 (4), 045001, 2019
242019
Oxygen reduction reaction mechanism on a phosporus-doped pyrolyzed graphitic Fe/N/C catalyst
HK Dipojono, AG Saputro, AK Fajrial, MK Agusta, FT Akbar, F Rusydi, ...
New Journal of Chemistry 43 (28), 11408-11418, 2019
222019
DFT study of adsorption of CO2 on palladium cluster doped by transition metal
AG Saputro, MK Agusta, TDK Wungu, F Rusydi, HK Dipojono
Journal of Physics: Conference Series 739 (1), 012083, 2016
222016
Hydrogen adsorption on Fe-based metal organic frameworks: DFT study
MK Agusta, AG Saputro, VV Tanuwijaya, NN Hidayat, HK Dipojono
Procedia engineering 170, 136-140, 2017
212017
Density functional and microkinetic study of CO2 hydrogenation to methanol on subnanometer Pd cluster doped by transition metal (M= Cu, Ni, Pt, Rh)
AG Saputro, AL Maulana, F Fathurrahman, G Shukri, MH Mahyuddin, ...
International Journal of Hydrogen Energy 46 (27), 14418-14428, 2021
192021
A First Principles Study on Zinc–Porphyrin Interaction with O2 in Zinc–Porphyrin(Oxygen) Complex
F Rusydi, M Kemal Agusta, A Gandaryus Saputro, H Kasai
Journal of the Physical Society of Japan 81 (12), 124301, 2012
192012
Effect of surface defects on the interaction of the oxygen molecule with the ZnO (101 [combining macron] 0) surface
AG Saputro, FT Akbar, NPP Setyagar, MK Agusta, AD Pramudya, ...
New Journal of Chemistry 44 (18), 7376-7385, 2020
182020
Theoretical Study on Hydrazine Chemisorption on Transition Metal Surfaces
MK Agusta, H Kasai
Journal of the Physical Society of Japan 81, 124705, 2012
172012
Electronic and optical properties of CuO based on DFT+ U and GW approximation
F Ahmad, MK Agusta, HK Dipojono
Journal of Physics: Conference Series 739 (1), 012040, 2016
162016
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