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Effect of the oxygen vacancy electronic state on Ni migration in Li0.5(Ni0.8Mn0.1Co0.1)O2 cathode material.
Phys Chem Chem Phys. 2023 Nov 22;25(45):31374-31381. doi: 10.1039/d3cp03396a.
Phys Chem Chem Phys. 2023.
PMID: 37961857
First principles study of oxygen molecule interaction with the graphitic active sites of a boron-doped pyrolyzed Fe-N-C catalyst.
Fajrial AK, Saputro AG, Agusta MK, Rusydi F, Nugraha, Dipojono HK.
Fajrial AK, et al. Among authors: agusta mk.
Phys Chem Chem Phys. 2017 Aug 30;19(34):23497-23504. doi: 10.1039/c7cp02390a.
Phys Chem Chem Phys. 2017.
PMID: 28829479
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DFT and microkinetic investigation of methanol synthesis via CO2 hydrogenation on Ni(111)-based surfaces.
Maulana AL , Putra RID , Saputro AG , Agusta MK , Nugraha , Dipojono HK .
Maulana AL , et al. Among authors: agusta mk.
Phys Chem Chem Phys. 2019 Sep 18;21(36):20276-20286. doi: 10.1039/c9cp02970b.
Phys Chem Chem Phys. 2019.
PMID: 31490485
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DFT + U study of H2O adsorption and dissociation on stoichiometric and nonstoichiometric CuO(1 1 1) surfaces.
Ahmad F, Agusta MK, Maezono R, Dipojono HK.
Ahmad F, et al. Among authors: agusta mk.
J Phys Condens Matter. 2020 Jan 23;32(4):045001. doi: 10.1088/1361-648X/ab4b34. Epub 2019 Oct 4.
J Phys Condens Matter. 2020.
PMID: 31585452
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Density functional study of methyl butanoate adsorption and its C-O bonds cleavage on MoS2-based catalyst with various loads of Ni promoters.
Prabowo WAE, Subagjo, Nugraha, Agusta MK, Saputro AG, Rustad S, Maezono R, Diño WA, Dipojono HK.
Prabowo WAE, et al. Among authors: agusta mk.
J Phys Condens Matter. 2019 Sep 11;31(36):365001. doi: 10.1088/1361-648X/ab2400. Epub 2019 May 23.
J Phys Condens Matter. 2019.
PMID: 31121574
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First principles calculation on the adsorption of water on lithium-montmorillonite (Li-MMT).
Wungu TD, Agusta MK, Saputro AG, Dipojono HK, Kasai H.
Wungu TD, et al. Among authors: agusta mk.
J Phys Condens Matter. 2012 Nov 28;24(47):475506. doi: 10.1088/0953-8984/24/47/475506. Epub 2012 Oct 31.
J Phys Condens Matter. 2012.
PMID: 23110845
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Pathways for SO(2) dissociation on Cu(100): density functional theory.
Mozo R, Agusta MK, Rahman MM, Diño WA, Rodulfo ET, Kasai H.
Mozo R, et al. Among authors: agusta mk.
J Phys Condens Matter. 2007 Sep 12;19(36):365244. doi: 10.1088/0953-8984/19/36/365244. Epub 2007 Aug 24.
J Phys Condens Matter. 2007.
PMID: 21694189
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