| Crystal and electronic structure of Li15Si4 Y Kubota, MCS Escaño, H Nakanishi, H Kasai Journal of applied physics 102 (5), 2007 | 122 | 2007 |
| A Specialist Periodical Report C Banks, S McIntosh, N Alonso-Vante, SD Bhat, MCS Escano, S Kabir, ... | 66 | 1978 |
| Tuning methane decomposition on stepped Ni surface: The role of subsurface atoms in catalyst design RL Arevalo, SM Aspera, MCS Escaño, H Nakanishi, H Kasai Scientific reports 7 (1), 13963, 2017 | 63 | 2017 |
| Reactivity descriptors for borohydride interaction with metal surfaces MCS Escano, E Gyenge, RL Arevalo, H Kasai The Journal of Physical Chemistry C 115 (40), 19883-19889, 2011 | 60 | 2011 |
| Nitric oxide adsorption effects on metal phthalocyanines TQ Nguyen, MCS Escano, H Kasai The Journal of Physical Chemistry B 114 (31), 10017-10021, 2010 | 59 | 2010 |
| Electronic structure of LiSi Y Kubota, MCS Escano, H Nakanishi, H Kasai Journal of Alloys and Compounds 458 (1-2), 151-157, 2008 | 49 | 2008 |
| First-principles calculations of the dissolution and coalescence properties of Pt nanoparticle ORR catalysts: The effect of nanoparticle shape MCS Escaño Nano Research 8, 1689-1697, 2015 | 43 | 2015 |
| Structure and stability of borohydride on Au (111) and Au 3 M (111)(M= Cr, Mn, Fe, Co, Ni) surfaces RL Arevalo, MCS Escaño, AYS Wang, H Kasai Dalton Transactions 42 (3), 770-775, 2013 | 42 | 2013 |
| Adsorption of diatomic molecules on iron tape-porphyrin: A comparative study TQ Nguyen, MCS Escaño, N Shimoji, H Nakanishi, H Kasai Physical Review B—Condensed Matter and Materials Physics 77 (19), 195307, 2008 | 33 | 2008 |
| Spin-Polarized Density Functional Theory Study of Reactivity of Diatomic Molecule on Bimetallic System: The Case of O2 Dissociative Adsorption on Pt Monolayer … MCS Escano, H Nakanishi, H Kasai The Journal of Physical Chemistry A 113 (52), 14302-14307, 2009 | 31 | 2009 |
| DFT+ U study on the oxygen adsorption and dissociation on CeO2-supported platinum cluster TQ Nguyen, MCS Escaño, H Nakanishi, H Kasai, H Maekawa, K Osumi, ... Applied surface science 288, 244-250, 2014 | 30 | 2014 |
| Mechanistic insight into the Au-3d metal alloy-catalyzed borohydride electro-oxidation: from electronic properties to thermodynamics RL Arevalo, MCS Escaño, H Kasai ACS Catalysis 3 (12), 3031-3040, 2013 | 30 | 2013 |
| Electrocatalysis of borohydride oxidation: a review of density functional theory approach combined with experimental validation MCS Escaño, RL Arevalo, E Gyenge, H Kasai Journal of Physics: Condensed Matter 26 (35), 353001, 2014 | 29 | 2014 |
| A theoretical study of the structure and stability of borohydride on 3d transition metals RL Arevalo, MCS Escaño, E Gyenge, H Kasai Surface science 606 (23-24), 1954-1959, 2012 | 28 | 2012 |
| Efficient terahertz wave generation of diabolo-shaped Fe/Pt spintronic antennas driven by a 780 nm pump beam M Talara, DS Bulgarevich, C Tachioka, VK Mag-usara, J Muldera, ... Applied Physics Express 14 (4), 042008, 2021 | 26 | 2021 |
| Computational Mechanistic Study of Borohydride Electrochemical Oxidation on Au3Ni(111) RL Arevalo, MCS Escaño, H Kasai The Journal of Physical Chemistry C 117 (8), 3818-3825, 2013 | 26 | 2013 |
| First-principles study on surface structure, thickness and composition dependence of the stability of Pt-skin/Pt3Co oxygen-reduction-reaction catalysts MCS Escaño, H Kasai Journal of Power Sources 247, 562-571, 2014 | 25 | 2014 |
| Pt/Cr and Pt/Ni catalysts for oxygen reduction reaction: to alloy or not to alloy? MC Escaño, E Gyenge, H Nakanishi, H Kasai Journal of Nanoscience and Nanotechnology 11 (4), 2944-2951, 2011 | 23 | 2011 |
| First-principles study of structural, electronic, and optical properties of surface defects in GaAs (001)-β2 (2x4) D Bacuyag, MCS Escaño, M David, M Tani AIP Advances 8 (6), 2018 | 20 | 2018 |
| Another way of looking at bonding on bimetallic surfaces: the role of spin polarization ofsurface metal d states MC Escano, TQ Nguyen, H Nakanishi, H Kasai Journal of Physics: Condensed Matter 21 (49), 492201, 2009 | 20 | 2009 |
