List of Publications


Refereed papers

Year 2023

  1. Takamasa Makino, Yasutaka Tsuda, Akitaka Yoshigoe, Wilson Agerico Diño, Michio Okada
    CH3Cl Dissociation, CH3 abstraction, and Cl adsorption from the dissociative scattering of supersonic CH3Cl on Cu(111) and Cu(410)
    Applied Surface Science, Volume 642, 158568 (2024)
    (9 pages)
  2. Allan Abraham B. Padama, Evian Drew A. Aguilar, Wilson Agerico Diño, Heun Tae Lee
    Effects of interstitial impurities (H, O, and He) on the structure and electronic properties of 𝛽–W: A density functional theory-based study
    Chemical Physics, Volume 573, 11199916 (2023)
    (9 pages)
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Year 2022

  1. Satoshi Yasuda, Hisayoshi Matsushima, Kenji Harada, Risako Tanii, Tomo-o Terasawa, Masahiro Yano, Hidehito Asaoka, Jessiel Siaron Gueriba, Wilson Agerico Diño, Katsuyuki Fukutani
    Efficient Hydrogen Isotope Separation by Tunneling Effect Using Graphene-Based Heterogeneous Electrocatalysts in Electrochemical Hydrogen Isotope Pumping
    ACS NANO, Volume 16, pp. 14362−14369 (2022)
    Add'l. Info/Press Release/Research@OsakaU
    (8 pages)
  2. Yasutaka Tsuda, Jessiel Siaron Gueriba, Hirokazu Ueta, Wilson Agerico Diño, Mitsunori Kurahashi, Michio Okada
    Probing Copper and Copper–Gold Alloy Surfaces with Space-Quantized Oxygen Molecular Beam
    JACS Au, Volume 2, pp. 1839-1847 (2022)
    (9 pages)
  3. Toshio Kasai, Balaganesh Muthiah, Xin-Hui Po, Chu-Chun Yan, King-Chuen Lin, Jeffrey Tanudji, Wilson Agerico Diño
    Pattern analysis of the impact-parameter dependent trajectories for the H + H2 exchange reaction at T = 3 and 300 K: A characteristic propensity for reactive versus nonreactive trajectories found in the time-dependent interaction potential and a roaming-like libration motion at cold temperature
    Journal of the Chinese Chemical Society Volume 69, pp. 630-645 (2022)
    Cover: Journal of the Chinese Chemical Society 4/2022
    (16 pages)
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Year 2021

  1. Jessiel Siaron Gueriba, Nur Ellina Annisa Salehuddin, Wilson Agerico Diño, Kiminori Washika, Hiroshi Nakamura, Tatsumi Kawafuchi
    Defluorination and adsorption of tetrafluoroethylene (TFE) on TiO2(110) and Cr2O3(0001)
    Scientific Reports Volume 11, Article Number 21551 (2021)
    (7 pages)
  2. Novianto Nur Hidayat, Mohammad Kemal Agusta, Hermawan Kresno Dipojono, Hiroshi Nakanishi, Hideaki Kasai
    Coadsorption of hydrazine and OH on the Ni(211)surface: A DFT study
    Surface Science Volume 714, 121931 (2021)
    (9 pages)
  3. Nadia Arrousse, Rajae Salim, Abdelfattah Abdellaoui, Fadou El Hajjaji, Belkheir Hammouti, El Houssine Mabrouk, Wilson Agerico Diño, Mustapha Taleb
    Synthesis, characterization, and evaluation of xanthene derivative as highly effective, nontoxic corrosion inhibitor for mild steel immersed in 1 M HCl solution
    Journal of the Taiwan Institute of Chemical Engineers Volume 120, pp. 344-359 (2021)
    (16 pages)
  4. Yasutaka Tsuda, Jessiel Siaron Gueriba, Takamasa Makino, Wilson Agerico Diño, Akitaka Yoshigoe, Michio Okada
    Interface atom mobility and charge transfer effects on CuO and Cu2O formation on Cu3Pd(111) and Cu3Pt(111)
    Scientific Reports Volume 11, Article Number 3906, pp. 1-8 (2021)
    Add'l Info/Press Release/Research@OsakaU
    (8 pages)
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Year 2020

  1. Jessiel Siaron Gueriba, Nelson Buntimil Arboleda, Jr., Wilson Agerico Diño,
    CO Diffusion and Bond Weakening on Cu(410) —Probing Surface Structure—
    e-Journal of Surface Science and Nanotechnology Volume 18, pp. 307-311 (2020)
    (5 pages)
  2. Yuya Hikita, Allan Abraham B. Padama, Meena Rittiruam, Melanie Y. David, Tosawat Seetawan, Hikaru Kobayashi, Wilson Agerico Diño,
    Changes in the geometric structure and hydrogen-termination modify the electronic and optical properties of porous silicon
    Optik - International Journal for Light and Electron Optics Volume 224, Article number 165539 pp. 1-7 (2020)
    (7 pages)
  3. Jessiel Siaron Gueriba, Wilson Agerico Diño, Seigi Mizuno, Michio Okada
    Probing the Surface Structure via the Adsorbed Hydrogen Atoms- the Case of Cu(410)
    Applied Surface Science Volume 528, Article number 146433 pp. 1-6 (2020)
    (6 pages)
  4. Koji Shimizu, Wilson Agerico Diño, Hiroshi Nakanishi, Hideaki Kasai, Kotaro Takeyasu, Katsuyuki Fukutani, Ayako Yajima
    Dynamical Quantum Filtering via Enhanced Scattering of para-H2 on the Orientationally Anisotropic Potential of SrTiO3(001)
    Scientific Reports Volume 10, Article number 5939 pp. 1-11 (2020)
    (11 pages)
  5. Meena Rittiruam, Allan Abraham B. Padama, Athorn Vora-ud, Anucha Yangthaisong, Tosawat Seetawan, Wilson Agerico Diño
    Dilute concentrations of Sb (Bi) dopants in Sn-site enhance the thermoelectric properties of TiNiSn half-Heusler alloys: a first-principles study
    Japanese Journal of Applied Physics Volume 59, Issue No. 3, Article number 035003 pp. 1-7 (2020)
    (7 pages)
  6. Nozomi Tanaka, Fumiya Ikemoto, Ippei Yamada, Yuji Shimabukuro, Masashi Kisaki, Wilson Agerico Diño, Mamiko Sasao, Motoi Wada, Hitoshi Yamaoka
    Positive and negative hydrogen ion reflections of low-energy atomic and molecular hydrogen ion beam from HOPG and Mo surfaces
    Review of Scientific Instruments Volume 91, Issue No. 1, Article number 013313 pp. 1-5 (2020)
    (5 pages)
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Year 2019

  1. Rezwan Ahmed, Takamasa Makino, Jessiel Siaron Gueriba, Seigi Mizuno, Wilson Agerico Diño, Michio Okada
    Quantitative Multilayer Cu(410) Structure and Relaxation Determined by QLEED
    Scientific Reports Volume 9, Article number 16882 pp. 1-8 (2019)
    (8 pages)
  2. Mohammad Kemal Agusta, Adhitya Gandaryus Saputro, Ahmad Zainul Ihsan, Raihan Krishna, Fadjar Fathurrahman, Hermawan Kresno Dipojono, Wilson Agerico Diño
    Coadsorption of hydrazine (N2H4) and OH on NiZn surface: A DFT-based study
    Surface Science Volume 691, Article number 121505 pp. 1-11 (2020)
    (11 pages)
  3. Wahyu Aji Eko Prabowo, Subagjo, Nugraha, Mohammad Kemal Agusta, Adhitya Gandaryus Saputro, Supriadi Rustad, Ryo Maezono, Wilson Agerico Diño, Hermawan Kresno Dipojono
    Density functional study of methyl butanoate adsorption and its C-O bonds cleavage on MoS2-based catalyst with various loads of Ni promoters
    Journal of Physics: Condensed Matter Volume 31, 365001 (2019)
    (12 pages)
  4. Bhume Chantaramolee, Susan Meñez Aspera, Ryan Lacdao Arevalo, Elvis Flaviano Arguelles, Ryo Kishida, Allan Abraham Bustria Padama, Hideaki Kasai, Hiroshi Nakanishi
    Surface Compositions of Pt–Pd/Pd(111) Alloys in the Presence of O and OH during Oxygen Reduction Reaction: A First-Principles Study
    Journal of the Physical Society of Japan Volume 88, 044802 (2019)
    (8 pages)
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Year 2018

  1. Allan Abraham B. Padama, Wilson Agerico Diño, Motoi Wada, Katsuyoshi Tsumori, Masashi Kisaki, Hideaki Kasai, Hiroshi Nakanishi, Mamiko Sasao, Nozomi Tanaka
    Adsorption of H on Cs/W(110): Impact of H on the Stability of Cs on the Surface
    e-Journal of Surface Science and Nanotechnology Volume 16, 391-395 (2018)
    (5 pages)
  2. Daiichi Kurokawa, Jessiel Siaron Gueriba, Wilson Agerico Diño
    Spin-Dependent O2 Binding to Hemoglobin
    ACS Omega Volume 3, No. 8, 9241-9245 (2018)
    (5 pages)
  3. Takamasa Makino, Siti Zulaehah, Jessiel Siaron Gueriba, Wilson Agerico Diño, Michio Okada
    CH3Cl/Cu(410): Interaction and Adsorption Geometry
    Journal of Physical Chemistry C: Volume 122, No. 22 11825−11831 (2018)
    (7 pages)
  4. Satoshi Ohno, Dmitry Ivanov, Shohei Ogura, Markus Wilde, Elvis Flaviano Arguelles, Wilson Agerico Diño, Hideaki Kasai, Katsuyuki Fukutani
    Rotational state modification and fast ortho-para conversion of H2 trapped within the highly anisotropic potential of Pd(210)
    Physical Review B, Volume 97, No. 08, 085436-1-5 (2018)
    (5 pages)
  5. Jun Xing Leong, Wilson Agerico Diño, Azizan Ahmad, Wan Ramli Wan Daud, Hideaki Kasai
    Increasing the proton conductivity of sulfonated polyether ether ketone by incorporating graphene oxide: Morphology effect on proton dynamics
    Japanese Journal of Applied Physics, Volume 57, No. 3, 035201-1-6 (2018)
    (6 pages)
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Year 2017

  1. Allan Abraham B. Padama, Anna Patricia S. Cristobal, Joey D. Ocon, Wilson Agerico Diño, Hideaki Kasai
    Effects of Adsorbates (CO, COH, and HCO) on the Arrangement of Pd Atoms in PdCu(111)
    Journal of Physical Chemistry C, Volume 121, 17818-17826 (2017)
    (9 pages)
  2. Mohammad Kemal Agusta, Prasetiyo Hadi Purwoko, Adhitya Gandaryus Saputro, Fadjar Fathurrahman, Hermawan K. Dipojono, Wilson Agerico Diño
    Conformational effects on hydrazine and OH coadsorption on Ni(111): A first-principles investigation
    Surface Science, Volume 664, 185-193 (2017)
    (9 pages)
  3. Koji Shimizu, Wilson Agerico Diño, Hiroshi Nakanishi, Hideaki Kasai, Katsuyuki Fukutani, Ayako Yajima
    Molecular Adsorption, Hindered Rotation, and Species Separation of H2/SrTiO3(001)
    Journal of the Physical Society of Japan, Volume 86, 073601-1-4 (2017)
    (4 pages)
  4. Takahiro Kondo, Masanao Tsumaki, Wilson Agerico Diño, Tsuyohito Ito
    Influence of reactive gas-phase species on the structure of an air/water interface
    Journal of Physics D: Applied Physics, Volume 50, 244002-1-5 (2017)
    (5 pages)
  5. 岡田美智雄、津田泰孝、吉越章隆、Wilson Agerico Diño
    超音速酸素分子ビームによる銅合金表面の酸化過程解明
    銅と銅合金、第56巻1号、232-236 (2017)
    (5 pages)
    Michio Okada, Yasutaka Tsuda, Akitaka Yoshigoe, Wilson Agerico Diño
    Oxidation Processes of Copper-Gold Alloy Surface Induced by Supersonic Oxygen Molecular Beam (in Japanese)
    Journal of Japan Institute of Copper, Volume 56, Issue No. 1, 232-236 (2017)
    (5 pages)
  6. Bhume Chantaramolee, Allan Abraham B. Padama, Hiroshi Nakanishi, Hideaki Kasai, Shohei Ogura, Katsuyuki Fukutani
    CO Adsorption on (110)-(1 × 2) Missing-Row Reconstructed Surfaces of Pd, Au, and Pd3Au: Electronic Structures and Vibrational Frequencies
    Journal of the Physical Society of Japan, Volume 86, 044712-1-9 (2017)
    (9 pages)
  7. Allan Abraham Bustria Padama, R.A.B. Villaos, J.R. Albia, Wilson Agerico Diño, Hiroshi Nakanishi, Hideaki Kasai
    CO-induced Pd segregation and the effect of subsurface Pd on CO adsorption on CuPd surfaces
    Journal of Physics: Condensed Matter, Volume 29, Number 2, 025005-1-8 (2017)
    (8 pages)
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Year 2016

  1. Jun Xing Leong, Wilson Agerico Diño, Azizan Ahmad, Wan Ramli Wan Daud, Hideaki Kasai
    Morphology Effect on Proton Dynamics in Nafion® 117 and Sulfonated Polyether Ether Ketone
    Journal of the Physical Society of Japan Vol. 85, Issue 9, pp. 094803-1-6 (2016)
    (6 pages)
  2. Michio Okada, Yasutaka Tsuda, Kohei Oka, Kazuki Kojima, Wilson Agerico Diño, Akitaka Yoshigoe, Hideaki Kasai
    Experimental and Theoretical Studies on Oxidation of Cu-Au Alloy Surfaces: Effect of Bulk Au Concentration
    Scientific Reports Vol. 6, Article number 31101 pp. 1-8 (2016)
    (8 pages)
  3. Shuichi Amino, Elvis Arguelles, Wilson Agerico Diño, Michio Okada, Hideaki Kasai
    C2H4 adsorption on Cu(210), revisited: bonding nature and coverage effects
    Physical Chemistry Chemical Physics Vol. 18, Issue 34, pp. 23621-23627 (2016)
    (7 pages)
  4. Ganes Shukri, Wilson Agerico Diño, Hermawan Kresno Dipojono, Muhammad Kemal Agusta, Hideaki Kasai
    Enhanced molecular adsorption of ethylene on reduced anatase TiO2 (001): Role of surface O-vacancies
    RSC Advances Vol. 6, Issue 95, pp. 92241-92251 (2016)
    (10 pages)
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Year 2015

  1. Allan Abraham B. Padama, Hiroshi Nakanishi, Hideaki Kasai
    Quantum states of hydrogen atom on Pd(1 1 0) surface
    Applied Surface Science Vol. 359 pp. 687-691 (2015)
    (5 pages)
  2. Joaquin Moreno, Susan Aspera, Melanie David, Hideaki Kasai
    A computational study on the effect of local curvature on the adsorption of oxygen on single-walled carbon nanotubes
    Carbon Vol. 94 pp. 531-542 (2015)
    (12 pages)
  3. Ryo Tsuchitani, Hiroshi Nakanishi, Hideyuki Shishitani, Susumu Yamaguchi, Hirohisa Tanaka b, Hideaki Kasai
    A theoretical study of how C2-substitution affects alkaline stability in imidazolium-based anion exchange membranes
    Solid State Inonics Vol. 278 pp. 5-10 (2015)
    (6 pages)
  4. Elvis Arguelles, Shuichi Amino, Susan Aspera, Hiroshi Nakanishi, Hideaki Kasai
    Surface magnetism in αPbO induced by Fe interstitials
    Journal of the Physical Society of Japan Vol. 84 pp. 045002 (2015)
    (2 pages)
  5. Nguyen Hoang Linh, Tien Quang Nguyen, Wilson Agerico Diño, Hideaki Kasai
    Effect of oxygen vacancy on the adsorption of O2 on anatase TiO2(001): a DFT-based study
    Surface Science Vol. 633 pp. 38-45 (2015)
    (8 pages)
  6. Kazuki Kojima, Wilson Agerico Diño, Takanori Koshikawa, Hideaki Kasai
    First principles study of magnetic properties of Co1ML/Ni2ML/Cu(111) multilayer structure
    Japanese Journal of Applied Physics Vol. 54(4) pp. 043001 (2015)
    (4 pages)
  7. Hiromi Ebisu, Keiji Yada, Hideki Kasai, Yukio Tanaka
    Odd-frequency pairing in topological superconductivity in a one-dimensional magnetic chain
    Physical Review B Vol. 91 pp. 54518 (2015)
    (15 pages)
  8. Hiromi Ebisu, Keiji Yada, Hideki Kasai, Yukio Tanaka
    Majorana edge states and topological properties in 1D/2D Rashba semiconductor proximity coupled to iron-based superconductor
    Superconductor Science and Technology Vol. 28 pp. 14001 (2015)
    (11 pages)
  9. Adhitya Gandaryus Saputro, Hideaki Kasai
    Oxygen reduction reaction on neighboring Fe-N4 and quaternary-N sites of pyrolized Fe/N/C catalyst
    Physical Chemistry Chemical Physics, Vol. 17, pp. 3059-3071 (2015)
    (13 pages)
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Year 2014

  1. Ignace Jarrige, Kenji Ishii, Daiju Matsumura, Yasuo Nishihata, Masahiro Yoshida, Hirofumi Kishi, Masashi Taniguchi, Mari Uenishi, Hirohisa Tanaka, Hideaki Kasai, Jun'ichiro Mizuki
    Towards Optimizing the Performance of Self-Regenerating Pt-Based Perovskite Catalysts
    ACS Catalysis (accepted 21-Nov-2014)
    (9 pages)
  2. Ryan Lacdao Arevalo, Kohei Oka, Hiroshi Nakanishi, Hideaki Kasai, Hiroyoshi Maekawa, Kazuo Osumid and Naoki Shimazaki
    Oxidation of NO on Pt/M (M = Pt, Co, Fe, Mn): a first-principles density functional theory study
    Catalysis Science & Technology (accepted 27-Sep-2014)
    (6 pages)
  3. Bhume Chantaramolee, Allan Abraham B. Padama, Hideaki Kasai
    First principles study of N and H atoms adsorption and NH formation on Pd(111) and Pd3Ag(111) surfaces
    Journal of Membrane Science, Vol. 474 pp. 57-63 (2014)
    (7 pages)
  4. Kohei Oka, Yasutaka Tsuda, Takamasa Makino, Michio Okada, M. Hashinokuchi, Akitaka Yoshigoe, Yuden Teraokae, and Hideaki Kasai
    The effects of alloying and segregation for the reactivity and diffusion of oxygen on Cu3Au(111)
    Physical Chemistry Chemistry Physics, Vol. 16(36), pp. 19702-19711 (2014)
    (10 pages)
  5. Musa Alaydrus, Mamoru Sakaue, Susan Menez Aspera, Triati Dewi Kencana Wungu, Nguyen Hoang Linh, Tran Linh PhanThuy, Hideaki Kasai, Tatsumi Ishihara, and Takahiro Mohri
    A DFT+U Study of Strain-Dependent Ionic Migration in Sm-Doped Ceria
    Journal of the Physical Society of Japan, Vol. 83(9), pp. 094707 (2014)
    (8 pages)
  6. Mary Clare Sison Escaño, Ryan Lacdao Arevalo, Elod Gyenge, and Hideaki Kasai
    Catalysis of borohydride oxidation: a review of density functional theory approach combined with experimental validation
    Journal of Physics: Condensed Matter, Vol. 26(35), pp. 353001 (2014)
    (14 pages)
  7. Ferensa Oemry, Hiroshi Nakanishi, Hideaki Kasai, Hiroyoshi Maekawa, Kazuo Osumi, and Kaoru Sato
    Atomic Oxygen Adsorption on Core-shell Ni@Pt and Pure Pt Nanoparticles
    Journal of the Vacuum Society of Japan, Vol. 57(7), pp. 277-283 (2014)
    (7 pages)
  8. Robby Manrique, Aristotle Ubando, Al Rey Villagracia, Jennifer Corpuz, Allan Abraham Padama, Melanie David, Nelson Arboleda Jr., Alvin Culaba, Hideaki Kasai
    A molecular dynamics investigation of water migration in a lipid bilayer for microalgae drying
    Philippine Science Letters, Vol. 7(1), pp. 138-145 (2014)
    (6 pages)
  9. Allan Abraham B. Padama and Hideaki Kasai
    First principles investigation of the initial stage of H-induced missing-row reconstruction of Pd(110) surface
    The Journal of Chemical Physics, Vol. 140(24), pp. 144707 (2014)
    (6 pages)
  10. Febdian Rusydi, Adhitya Gandaryus Saputro, and Hideaki Kasai
    A density-functional study on the change of Q/B-band intensity ratio of zinc tetraphenylporphyrin in solvents
    Journal of the Physical Society of Japan, Vol. 83(8), pp. 084802 (2014)
    (6 pages)
  11. Ryo Kishida, Yohei Ushijima, Adhitya Gandaryus Saputro, and Hideaki Kasai
    Effect of pH on elementary steps of dopachrome conversion from first-principles calculation
    Pigment Cell and Melanoma Research, Vol. 27(5), pp. 734-743 (2014)
    (11 pages)
  12. Kohei Oka and Hideaki Kasai
    Prediction of Ferroelectric Behavior for PZT and Pb-Substituted Materials
    e-Journal of Surface Science and Nanotechnology, Vol. 12, pp. 40-44 (2014)
    (5 pages)
  13. Hideaki Kasai, Wilson Agerico Diño, Kazuki Kojima, Yousuke Kawahito
    Surface as a Foundation to Realizing Designer Materials
    e-Journal of Surface Science and Nanotechnology, Vol. 12, pp. 203-216 (2014)
    (14 pages)
  14. Tran Phan Thuy Linh, Mamoru Sakaue, Susan Meñez Aspera, Musa Alaydrus, Triati Dewi Kencana Wungu, Nguyen Hoang Linh, Hideaki Kasai, Takahiro Mohri, Tatsumi Ishihara
    First-principles calculation on oxygen ion migration in alkaline-earth doped La2GeO5
    J. Phys.: Condens. Matter, Vol. 26(25), pp. 255503 (2014)
    (14 pages)
  15. Michelle T. Natividad, Nelson B. Arboleda Jr., Hideaki Kasai
    Incident angle dependence of H2 adsorption on a defective Pt(111) surface: first principles calculation
    Philippine Science Letters, Vol. 7(1), pp. 81-87 (2014)
    (7 pages)
  16. Kuniyuki Miwa, Mamoru Sakaue, Branko Gumhalter, Hideaki Kasai
    Effects of plasmon energetics on light emission induced by scanning tunneling microscopy
    Journal of Physics: Condensed Matter, Vol. 26(22), pp. 222001 (2014)
    (6 pages)
  17. Mary Clare Sison Escaño, Ryan Lacdao Arevalo, Elod Gyenge, Hideaki Kasai
    First-principles study of borohydride adsorption properties on osmium nanoparticles and surfaces: understanding the effects of facets, size and local sites
    Catalysis Science & Technology (2014)
    (12 pages)
  18. Febdian Rusydi, Mohammad Kemal Agusta, Adhitya Gandaryus Saputro, Hideaki Kasai
    A theoretical study of ligand effects on the electronic structures of ligated zinc porphyrin using density functional theory
    Journal of the Vacuum Society of Japan, Vol. 57(3), pp. 102-110 (2014)
    (9 pages)
  19. Allan Abraham B. Padama, Bhume Chantaramolee, Hiroshi Nakanishi, Hideaki Kasai
    Hydrogen atom absorption in hydrogen-covered Pd(110) (1x2) missing-row surface
    International Journal of Hydrogen Energy, Vol. 39(12), pp. 6598-6603 (2014)
    (6 pages)
  20. Yasutaka Tsuda, Kohei Oka, Takamasa Makino, Michio Okada, Wilson Agerico Dino, M. Hashinokuchi, Akitaka Yoshigoe, Yuden Teraoka, Hideaki Kasai
    Initial stages of Cu3Au(111) oxidation: oxygen induced Cu segregation and the protective Au layer profile
    Physical Chemistry Chemical Physics, Vol. 16(8), pp. 3815-3822 (2014)
    (8 pages)
  21. Ferensa Oemry, Hiroshi Nakanishi, Hideaki Kasai, Hiroyoshi Maekawa, Kazuo Osumi, Kaoru Sato
    Adsorbed oxygen-induced cluster reconstruction on core-shell Ni@Pt and Pt clusters
    Journal of Alloys and Compounds, Vol. 594(1), pp. 93-101 (2014)
    (9 pages)
  22. Allan Abraham B. Padama, Kohei Oka, Wilson Agerico Dino, Hideaki Kasai
    Analysis of the changes in electronic structures and work function variation in alkali metal - metal surface systems
    Journal of the Vacuum Society of Japan, Vol. 57(1), pp. 27-31 (2014)
    (9 pages)
  23. Joaquin Lorenzo Valmoria Moreno, Allan Abraham Bustria Padama, Hideaki Kasai
    A density functional theory-based study on the dissociation of NO on CuO(110) surface
    Journal of the Vacuum Society of Japan, Vol. 57(1), pp. 27-31 (2014)
    (6 pages)
  24. Adhitya Gandaryus Saputro, Hideaki Kasai
    Density functional theory study on the interaction of O2 and H2O2 molecules with the active sites of cobalt-polypyrrole catalyst
    Journal of the Physical Society of Japan, Vol. 83(2), pp. 24707 (2014)
    (11 pages)
  25. Koji Shimizu, Wilson Agerico Dino, Hideaki Kasai
    Dynamics of Mu, H, D, and T absorption into Pd(111): Isotope effects
    Journal of the Physical Society of Japan, Vol. 83(1), pp. 013601 (2014)
    (4 pages)
  26. Ganes Shukri, Hideaki Kasai
    Density functional theory study of ethylene adsorption on clean anatase TiO2 (001) surface
    Surface Science, Vol.619 pp. 59-66 (2014)
    (8 pages)
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Year 2013

  1. Ryo Tsuchitani, Hiroshi Nakanishi, Hideaki Kasai
    An Initial Degradation Reaction before Ring-Opening in Imidazolium-Based Anion Exchange Membranes: A DFT Study
    e-Journal of Surface Science and Nanotechnology, Vol.11, pp.138-141 (2013)
    (4 pages)
  2. Joaquin Moreno, Melanie David, Hideaki Kasai
    Interaction of oxygen with Fe nanowire-filled single-walled carbon nanotubes
    Advances in Natural Science, Vol.6(4), pp.1-5 (2013)
    (6 pages)
  3. Tran Phan Thuy Linh, Mamoru Sakaue, Musa Alaydrus, Triati Dewi Kencana Wungu, Susan Meñez Aspera, Hideaki Kasai, Tatsumi Ishihara
    Alkaline-earth doped effect on oxygen vacancy migration in monoclinic lanthanum germanate: first-principles calculation
    ECS Transactions, Vol.57(1), pp.1077-1083 (2013)
    (7 pages)
  4. Ryan Lacdao Arevalo, Mary Clare Sison Escano, Hideaki Kasai
    Mechanistic insight into the Au-3d metal alloy-catalyzed borohydride electro-oxidation: From electronic properties to thermodynamics
    ACS Catalysis, Vol.3, pp.3031-3040 (2013)
    (10 pages)
  5. Mamoru Sakaue, Hideaki Kasai, Tatsumi Ishihara
    Computational studies on ionic and electronic conduction of rare-earth-based oxides based on density functional theory
    ECS Transactions, Vol.57(1), pp.2411-2418 (2013)
    (8 pages)
  6. Susan Meñez Aspera, Mamoru Sakaue, Musa Alaydrus, Triati Dewi Kencana Wungu, Tran Linh PhanThuy, Hideaki Kasai, Tatsumi Ishihara
    Investigations on the structural and electronic properties of pure and doped bulk Pr2NiO4 through first principles calculations
    ECS Transactions, Vol.57(1), pp.2753-2762 (2013)
    (10 pages)
  7. Hideaki Kasai, Susan Meñez Aspera, Adhitya Gandaryus Saputro
    Development of novel materials through Computational Materials Design (CMD)
    ECS Transactions, Vol.53(37), pp.1-6 (2013)
    (6 pages)
  8. Musa Alaydrus, Mamoru Sakaue, Susan Meñez Aspera, Triati Dewi Kencana Wungu, Tran Linh PhanThuy, Hideaki Kasai, Tatsumi Ishihara
    First-principles study of the lattice strain effects on the ionic migration barrier of Sm-doped ceria
    ECS Transactions, Vol.57(1) pp.2733-2739 (2013)
    (7 pages)
  9. Triati Dewi Kencana Wungu, Mamoru Sakaue, Susan Meñez Aspera, Tran Linh PhanThuy, Musa Alaydrus, Hideaki Kasai, Tatsumi Ishihara
    First principles study on the electronic structure and properties of Sr- and Mg- doped LaGaO3
    ECS Transactions, Vol.57(1), pp.2715-2722 (2013)
    (8 pages)
  10. Tien Quang Nguyen, Mary Clare Sison Escaño, Hiroshi Nakanishi, Hideaki Kasai, Hiroyoshi Maekawa, Kazuo Osumi, Kaoru Sato
    DFT+U study on the oxygen adsorption and dissociation on CeO2-supported platinum cluster
    Applied Surface Science, Vol 288, pp. 244-250 (2014)
    (7 pages)
  11. Adhitya Gandaryus Saputro, Hideaki Kasai, Koichiro Asazawa, Hirofumi Kishi, and Hirohisa Tanaka
    Comparative study on the catalytic activity of the TM-N2 active sites (TM = Mn, Fe, Co, Ni) in the oxygen reduction reaction: Density functional theory study
    Vol.82(11), pp.114704 (2013)
    (11 pages)
  12. Koji Shimizu, Wilson Agerico Diño, Hideaki Kasai
    Rotational effects on the dissociative adsorption and abstraction dynamics of O2/Al(111)
    Journal of the Physical Society of Japan, Vol.82 (Letters), pp.113602 (2013)
    (11 pages)
  13. Kuniyuki Miwa, Mamoru Sakaue, Hideaki Kasai
    Effects of interference between energy absorption processes of molecule and surface plasmons on light emission induced by scanning tunneling
    Journal of the Physical Society of Japan, Vol.82, pp.124707 (2013)
    (11 pages)
  14. Allan Abraham B. Padama. Hideaki Kasai, Yogi Wibisono Budhi
    Hydrogen absorption and hydrogen-induced reverse segregation in palladium-silver surface
    International Journal of Hydrogen Energy, Vol.38(34), pp.14715-14724 (2013)
    (10 pages)
  15. Hideaki Kasai, Allan Abraham B. Padama, Yasuo Nishihata, Hirohisa Tanaka, Chiaki Mitachi
    Elements science and technology project: Design of precious metal free catalyst for NO dissociation
    Journal of the Japan Petroleum Institute, Vol.56(6), pp.357-365 (2013)
    (9 pages)
  16. Mary Clare Sison Escaño, Hideaki Kasai
    First-principles study on surface structure, thickness and composition dependence of the stability of Pt-skin/Pt3Co oxygen-reduction reaction
    Journal of Power Sources, Vol.247, pp.562-571 (2014)
    (10 pages)
  17. Kuniyuki Miwa, Mamoru Sakaue, Hideaki Kasai
    Vibration-assisted upconversion of molecular luminescence induced by scanning tunneling microscopy
    Nanoscale Research Letters, Vol.8, pp.204 (2013)
    (6 pages)
  18. Kuniyuki Miwa, Mamoru Sakaue, Hideaki Kasai
    Interplay between plasmon luminescence and vibrationally resolved molecular luminescence induced by scanning tunneling microscopy
    Journal of the Physcial Society of Japan, Vol.82(6), pp.069715-1 (2013)
    (5 pages)
  19. Kazue Kudo, Masahiko Suzuki, Kazuki Kojima, Tsuneo Yasue, Noriko Akutsu, Wilson Agerico Diño, Hideaki Kasai, Ernst Bauer, Takanori Koshikawa
    Magnetic domain patterns on strong perpendicular magnetization of Co/Ni multilayers as spintronics materials II: Numerical simulations
    Journal of Physics: Condensed Matter, Vol. 25(39), pp. 395005 (2013)
    (6 pages)
  20. Masahiko Suzuki, Kazue Kudo, Kazuki Kojima, Tsuneo Yasue, Noriko Akutsu, Wilson Agerico Diño, Hideaki Kasai, Ernst Bauer, Takanori Koshikawa
    Magnetic domain patterns on strong perpendicular magnetization of Co/Ni multilayers as spintronics materials I: Dynamic observations
    Journal of Physics: Condensed Matter, Vol. 25(40), pp. 395005 (2013)
    (8 pages)
  21. Tran Phan Thuy Linh, Mamoru Sakue, Musa Alaydrus, Triati Dewi Kencana Wungu, Susan Meñez Aspera, Hideaki Kasai, Takahiro Mohri, Tatsumi Ishihara
    Electronic and Oxygen Migration Properties of Monoclinic La2GeO5
    Journal of the Physical Society of Japan, Vol. 82(8), pp. 84702 (2013)
    (4 pages)
  22. Koji Shimizu, Wilson Agerico Diño, Hideaki Kasai
    Tunneling Effect of O2 in Dissocitive Adsorption on Pt(111) Surface
    e-Journal of Surface Science and Nanotechnology, Vol. 11, pp. 72 (2013)
    (4 pages)
  23. Koji Shimizu, Wilson Agerico Diño, Hideaki Kasai
    Tunneling Effect in Dissociative Adsorption of O2 on Pt(001) Surface
    Journal of the Vacuum Society of Japan, Vol. 56(10), pp. 72 (2013)
    (3 pages)
  24. Musa Alaydrus, Mamoru Sakaue, Susan M Aspera, Triati D K Wungu, Tran P T Linh, Hideaki Kasai, Tatsumi Ishihara, Takahiro Mohri
    A first-principles study on defect association and oxygen ion migration of Sm3+ and Gd3+ co-doped ceria
    Journal of Physics: Condensed Matter, Vol. 25(22), pp. 225401 (2013)
    (9 pages)
  25. Ryan Lacdao Arevalo, Hirofumi Kishi, Allan Abraham Bustria Padama, Joaquin Lorenzo Valmoria Moreno, Hideaki Kasai
    Substrate dependence of Pt4 electronic properties
    Journal of Physics: Condensed Matter, Vol. 25(22), pp. 222001 (2013)
    (5 pages)
  26. Kazuki Kojima, Wilson Agerico Diño, Masahiko Suzuki, Tsuneo Yasue, Kazue Kudo, Noriko Akutsu, Ernst Bauer, Takanori Koshikawa, Hideaki Kasai
    W(110)上のCo/Ni多重層における磁気異方性の理論的研究
    Journal of the Vacuum Society of Japan, Vol. 56(4), pp. 139 (2013)
    (3 pages)
  27. Mary Clare Sison Escaño, Ryan Lacdao Arevalo, Elod Gyenge, Hideaki Kasai
    Water co-adsorption and electric field effects on borohydride structures on Os(111) by first-principles calculations
    Journal of Alloys and Compounds, Vol.580, pp.6-9 (2013)
    (4 pages)
  28. Ryan Lacdao Arevalo, Mary Clare Sison Escaño, Hideaki Kasai
    Computational mechanistic study of borohydride electrochemical oxidation on Au3Ni(111)
    The Journal of Physical Chemistry C, Vol. 117, pp. 3818-3825 (2013)
    (8 pages)
  29. Wahyu Tri Cahyanto, Ganes Shukri, Mohammad Kemal Agusta, Hideaki Kasai
    Adsorption of formaldehyde and formyl intermediates on Pt, PtRu-, and PtRuMo-alloy surfaces: A density functional study
    Applied Surface Science, Vol. 266, pp. 405-409 (2013)
    (5 pages)
  30. Abdulla Sarhan, Ong Yi Ching, Hiroshi Nakanishi, Katsuyuki Fukutani, Hideaki Kasai
    Dihydride Structures of Deuterium on Germanium (001) Surfaces
    Journal of Applied Physics, Vol. 113, pp. 023703 (2013)
    (7 pages)
  31. Yuji Kunisada, Hideaki Kasai
    Effects of Hindered Rotation on H2 Nuclear Spin Conversion on Ag(111)
    Journal of the Physical Society of Japan, Vol. 82(2), pp. 023601 (2013)
    (4 pages)
  32. Ryan Lacdao Arevalo, Mary Clare Sison Escaño, Andrew Yu-Sheng Wang, Hideaki Kasai
    Structure and stability of borohydride on Au(111) and Au3M(111) (M = Cr, Mn, Fe, Co, Ni) surfaces
    Dalton Transactions, Vol. 43(3), pp. 770 (2013)
    (6 pages)
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