Search Results - "Diño, Wilson Agerico"
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Efficient Hydrogen Isotope Separation by Tunneling Effect Using Graphene-Based Heterogeneous Electrocatalysts in Electrochemical Hydrogen Isotope Pumping
Published in ACS nano (27-09-2022)“…The fabrication of a hydrogen isotope enrichment system is essential for the development of industrial, medical, life science, and nuclear fusion fields, and…”
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Synthesis, characterization, and evaluation of xanthene derivative as highly effective, nontoxic corrosion inhibitor for mild steel immersed in 1 M HCl solution
Published in Journal of the Taiwan Institute of Chemical Engineers (01-03-2021)“…•Xanthene derivatives act as efficient and nontoxic corrosion inhibitors for mild steel.•Quantum chemical parameters and Monte Carlo simulation results are in…”
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Interface atom mobility and charge transfer effects on CuO and Cu2O formation on Cu3Pd(111) and Cu3Pt(111)
Published in Scientific reports (15-02-2021)“…We bombarded Cu 3 Pd ( 111 ) and Cu 3 Pt ( 111 ) with a 2.3 eV hyperthermal oxygen molecular beam (HOMB) source, and characterized the corresponding (oxide)…”
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Defluorination and adsorption of tetrafluoroethylene (TFE) on TiO2(110) and Cr2O3(0001)
Published in Scientific reports (03-11-2021)“…Here, we show that metal oxide surfaces catalyze the formation of intermediate defluorinated tetrafluoroethylene (TFE) radicals, resulting in enhanced binding…”
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Quantitative Multilayer Cu(410) Structure and Relaxation Determined by QLEED
Published in Scientific reports (15-11-2019)“…Industrially relevant catalytically active surfaces exhibit defects. These defects serve as active sites; expose incoming adsorbates to both high and low…”
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Experimental and Theoretical Studies on Oxidation of Cu-Au Alloy Surfaces: Effect of Bulk Au Concentration
Published in Scientific reports (12-08-2016)“…We report results of our experimental and theoretical studies on the oxidation of Cu-Au alloy surfaces, viz., Cu 3 Au(111), CuAu(111) and Au 3 Cu(111), using…”
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Effects of Adsorbates (CO, COH, and HCO) on the Arrangement of Pd Atoms in PdCu(111)
Published in Journal of physical chemistry. C (24-08-2017)“…We investigated the arrangement of Pd atoms in PdCu(111) when CO, COH, and HCO are introduced as adsorbates, by performing density functional theory (DFT)…”
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Dynamical Quantum Filtering via Enhanced Scattering of para-H2 on the Orientationally Anisotropic Potential of SrTiO3(001)
Published in Scientific reports (03-04-2020)“…Quantum dynamics calculation, performed on top of density functional theory (DFT)-based total energy calculations, show dynamical quantum filtering via…”
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CO Diffusion and Bond Weakening on Cu(410) —Probing Surface Structure
Published in E-journal of surface science and nanotechnology (25-12-2020)“…We discuss the possibility of using adsorbed CO for adsorbate mediated surface analysis. CO is known to exhibit properties that depend strongly on the local…”
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Adsorption of H on Cs/W(110): Impact of H on the Stability of Cs on the Surface
Published in E-journal of surface science and nanotechnology (20-09-2018)“…We studied the adsorption of H on Cs/W(110) by performing density functional theory (DFT) based total energy calculations to determine the influence of H on Cs…”
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Spin-Dependent O2 Binding to Hemoglobin
Published in ACS omega (31-08-2018)“…We report results of our study on the mechanism of spin-dependent O2 binding to hemoglobin, which we represent as FePIm (Fe = iron, P = porphyrin, Im =…”
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Magnetic domain patterns on strong perpendicular magnetization of Co/Ni multilayers as spintronics materials: I. Dynamic observations
Published in Journal of physics. Condensed matter (09-10-2013)“…Materials with perpendicular magnetic anisotropy can reduce the threshold current density of the current-induced domain wall motion. Co/Ni multilayers show…”
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13
Rotational Effects on the Dissociative Adsorption and Abstraction Dynamics of O2/Al(111)
Published in Journal of the Physical Society of Japan (15-11-2013)“…Focussing on the dynamical aspects of the initial sticking of O 2 /Al(111), we perform quantum dynamical calculations under the influence of an orientationally…”
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14
Critical Crossover Between Yosida--Kondo Dominant Regime and Magnetic Frustration Dominant Regime in the System of a Magnetic Trimer on a Metal Surface
Published in Journal of the Physical Society of Japan (15-02-2012)“…Quantum Monte Carlo simulations were carried out for a system of a magnetic trimer on a metal surface. The magnetic trimer is arranged in two geometric…”
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Effect of RKKY Interaction on the System of Two Magnetic Atoms on a Metal Surface at Finite Temperatures
Published in Journal of the Physical Society of Japan (15-07-2010)“…For a system of two magnetic adatoms on a metal surface at finite temperatures, we calculate the spectral density at adatom sites. At sufficiently low…”
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Effect of RKKY Interaction on the Scanning Tunneling Spectra of a Classic Kondo System: Two Magnetic Atoms Adsorbed on a Metal Surface
Published in Journal of the Physical Society of Japan (01-08-2009)“…We calculate the corresponding differential conductance (dI/dV) spectra from scanning tunneling spectroscopy (STS) measurements for two magnetic atoms adsorbed…”
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Simulations of magnetic domain patterns on the surface of Co/Ni multilayers
Published in Surface and interface analysis (01-12-2014)“…Magnetic domains in ultrathin films show a wide variety of patterns. Recent instrument developments, in particular in spin‐polarized low‐energy electron…”
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Spectroscopic profiles of a magnetic dimer on a metal surface
Published in Solid state communications (01-08-2009)“…To better understand the Scanning Tunneling Spectroscopy (STS) spectra for a magnetic dimer on a metal surface, we calculate the differential conductance ( d I…”
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Kondo Effect in the Systems of Magnetic Trimers on a Metal Surface
Published in Journal of the Physical Society of Japan (15-11-2010)“…Calculating the local spectral densities at magnetic adatoms, we estimate the variation in the Yosida--Kondo resonance due to the…”
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Surface as a Foundation to Realizing Designer Materials
Published in E-journal of surface science and nanotechnology (01-01-2014)“…We entered the 21st Century witnessing several remarkable progress in Science and Technology. Novel materials and devices once considered stuffs of science…”
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