Theoretical Materials Science (TheoMatSci)-
Diño Research Group

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Latest publications

Riri Jonuarti, Wilson Agerico Diño, Hikaru Kobayashi, Suprijadi, Ratnawulan, Rahmat Hidayat
Hydrogen generation via water splitting with hexagonal silicon monolayers as (photo)catalysts
Molecular Catalysis, Volume 559, 114081 (2024)
(7 pages)

Jeffrey Tanudji, Hideaki Kasai, Michio Okada, Tetsuo Ogawa, Susan Meñez Aspera, Hiroshi Nakanishi
²¹¹At on gold nanoparticles for targeted radionuclide therapy application
Physical Chemistry Chemical Physics, (2024) Advance Article
(13 pages)

Zakariae Abbaoui, Mohammed Merzouki, Imane Oualdi, Abdelhamid Bitari, Abdelouhed Oussaid, Allal Challioui, Rachid Touzani, Belkheir Hammouti, Wilson Agerico Diño
Alzheimer’s disease: In silico study of rosemary diterpenes activities
Current Research in Toxicology, Volume 6, 100159 (2024)
(6 pages)

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)

Jeffrey Tanudji, Susan Meñez Aspera, Hideaki Kasai, Michio Okada, Tetsuo Ogawa, Hiroshi Nakanishi
Surface Facet Effect on the Adsorption of Iodine and Astatine on Gold Surface
e-Journal of Surface Science and Nanotechnology, Volume 22, 38-45 (2023)
(8 pages)

Jeffrey Tanudji, Susan Meñez Aspera, Hideaki Kasai
Theoretical Comparison Study of Iodine and Astatine Adsorption on Au(111) Surface
e-Journal of Surface Science and Nanotechnology, Volume 21, 318-323 (2023)
(6 pages)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

Bhume Chantaramolee, Allan Abraham B. Padama, Hiroshi Nakanishi, Hideaki Kasai, Shohei Ogura, Katsuyuki Fukutani
CO Adsorption on (110)-(1 x 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)

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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