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Tuning methane decomposition on stepped Ni surface: The role of subsurface atoms in catalyst design.
Sci Rep. 2017 Oct 25;7(1):13963. doi: 10.1038/s41598-017-14050-3.
Sci Rep. 2017.
PMID: 29070850
Free PMC article.
Spin-polarized density functional theory study of reactivity of diatomic molecule on bimetallic system: the case of O2 dissociative adsorption on Pt monolayer on Fe(001).
Escano MC, Nakanishi H, Kasai H.
Escano MC, et al.
J Phys Chem A. 2009 Dec 31;113(52):14302-7. doi: 10.1021/jp9030267.
J Phys Chem A. 2009.
PMID: 19588900
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Structure and stability of borohydride on Au(111) and Au3M(111) (M = Cr, Mn, Fe, Co, Ni) surfaces.
Arevalo RL, Escaño MC, Wang AY, Kasai H.
Arevalo RL, et al.
Dalton Trans. 2013 Jan 21;42(3):770-5. doi: 10.1039/c2dt32226a.
Dalton Trans. 2013.
PMID: 23168688
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Electrocatalysis of borohydride oxidation: a review of density functional theory approach combined with experimental validation.
Escaño MC, Arevalo RL, Gyenge E, Kasai H.
Escaño MC, et al.
J Phys Condens Matter. 2014 Sep 3;26(35):353001. doi: 10.1088/0953-8984/26/35/353001. Epub 2014 Aug 11.
J Phys Condens Matter. 2014.
PMID: 25110306
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Nitric oxide adsorption effects on metal phthalocyanines.
Nguyen TQ, Escaño MC, Kasai H.
Nguyen TQ, et al.
J Phys Chem B. 2010 Aug 12;114(31):10017-21. doi: 10.1021/jp1035426.
J Phys Chem B. 2010.
PMID: 20684624
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A study on the stability of O2 on oxometalloporphyrins by the first principles calculations.
Kubota Y, Escaño MC, Dy ES, Nakanishi H, Kasai H.
Kubota Y, et al.
J Chem Phys. 2007 May 21;126(19):194303. doi: 10.1063/1.2733645.
J Chem Phys. 2007.
PMID: 17523800
Free article.
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