Search Results - "Thang, Ho Viet"
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Structural evolution of atomically dispersed Pt catalysts dictates reactivity
Published in Nature materials (01-07-2019)“…The use of oxide-supported isolated Pt-group metal atoms as catalytic active sites is of interest due to their unique reactivity and efficient metal…”
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On the Real Nature of Rh Single‐Atom Catalysts Dispersed on the ZrO2 Surface
Published in ChemCatChem (07-05-2020)“…The nature of a Rh single‐atom catalyst (SAC) stabilized on the surface of tetragonal zirconia, t‐ZrO2, is investigated here by performing extensive DFT…”
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Nature of Sintering‐Resistant, Single‐Atom Ru Species Dispersed on Zirconia‐Based Catalysts: A DFT and FTIR Study of CO Adsorption
Published in ChemCatChem (21-06-2018)“…Recent studies on the upgrade of cellulosic biomass to renewable chemicals and fuels based on Ru/ZrO2 catalysts have shown that the catalyst contains…”
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Vibrational Properties of CO Adsorbed on Au Single Atom Catalysts on TiO2(101), ZrO2(101), CeO2(111), and LaFeO3(001) Surfaces: A DFT Study
Published in Topics in catalysis (01-11-2022)“…The nature and local environment of Au single atoms supported and stabilized on four different oxides is studied by means of DFT + U calculations using CO as…”
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The Lewis acidity of three- and two-dimensional zeolites: The effect of framework topology
Published in Catalysis today (15-04-2018)“…[Display omitted] •Change in Lewis acidity of bulk and layered zeolite depends on zeolite topology.•Zeolite layer with larger silanol density and flexibility…”
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CO Oxidation Promoted by a Pt4/TiO2 Catalyst: Role of Lattice Oxygen at the Metal/Oxide Interface
Published in Catalysis letters (01-02-2019)“…CO oxidation promoted by a subnano Pt 4 cluster deposited on the anatase a-TiO 2 (101) surface has been investigated by means of DFT + U calculations. The…”
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Nature of stable single atom Pt catalysts dispersed on anatase TiO2
Published in Journal of catalysis (01-11-2018)“…[Display omitted] •The atomistic nature of Pt single atom catalysts on anatase TiO2 is demonstrated.•The isolated Ptiso species consist of a PtO2…”
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Oxygen Vacancy in Wurtzite ZnO and Metal-Supported ZnO/M(111) Bilayer Films (M = Cu, Ag and Au)
Published in Journal of physical chemistry. C (13-09-2018)“…Using spin-polarized DFT+U calculations we have studied the nature of the O vacancy in graphitic-like ZnO bilayer films supported on Cu, Ag, and Au (111)…”
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Nature of Atomically Dispersed Ru on Anatase TiO2: Revisiting Old Data Based on DFT Calculations
Published in Journal of physical chemistry. C (28-03-2019)“…In recent years, a lot of emphasis has been given to the concept of single-atom catalyst. In this paper, we show that some of these species have been observed…”
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Spontaneous Formation of Gold Cluster Anions on ZnO/Cu(111) Bilayer Films
Published in Journal of physical chemistry. C (04-04-2019)“…Recently, bilayer ZnO films grown on Cu, Ag, and Au supports have been reported as new materials with potentially interesting properties. In this work we have…”
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The epitaxial growth of ZnO films on Cu(111) surface: Thickness dependence
Published in Applied surface science (31-07-2019)“…ZnO ultrathin films supported on Cu, Ag or Au are attracting increasing interest because they can form under special conditions on commercial Cu/ZnO/Al2O3…”
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DFT insights into the electronic structure of Rh single-atom catalysts stabilized on the CeO2(111) surface
Published in Chemical physics letters (16-09-2022)“…[Display omitted] •High stability of single atom catalysts of Rh on CeO2(111) surface.•Adsorption properties of CO on supported single atom Rh…”
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DFT insights into the adsorption mechanism of five-membered aromatic heterocycles containing N, O, or S on Fe(110) surface
Published in Applied surface science (01-05-2022)“…[Display omitted] •Pyrrole, furan, and thiophene adsorb on Fe(110) at the hollow site in the flat-lying geometries.•The chemisorptions are demonstrated by…”
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DFT study of electronic properties of N-doped ZnO and ZnO/Cu(111) bilayer films
Published in Surface science (01-02-2022)“…•Electronic and adsorption properties of N-doped ZnO and ZnO/Cu(111) bilayer films.•Effect of charge transfer from Cu support to ZnO film on the oxidation…”
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Evidence of Charge Transfer to Atomic and Molecular Adsorbates on ZnO/X(111) (X = Cu, Ag, Au) Ultrathin Films. Relevance for Cu/ZnO Catalysts
Published in ACS catalysis (04-05-2018)“…ZnO bilayers grown on Cu(111), Ag(111), and Au(111) surfaces belong to the class of two-dimensional materials. We show, by means of density functional theory…”
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Dispersed surface Ru ensembles on MgO(111) for catalytic ammonia decomposition
Published in Nature communications (06-02-2023)“…Ammonia is regarded as an energy vector for hydrogen storage, transport and utilization, which links to usage of renewable energies. However, efficient…”
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Cluster Nanozymes with Optimized Reactivity and Utilization of Active Sites for Effective Peroxidase (and Oxidase) Mimicking
Published in Small (Weinheim an der Bergstrasse, Germany) (01-02-2022)“…Single‐atom catalysts have attracted attention in the past decade since they maximize the utilization of active sites and facilitate the understanding of…”
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Dual Stimuli-Responsive Polymeric Hollow Nanogels Designed as Carriers for Intracellular Triggered Drug Release
Published in Langmuir (23-10-2012)“…Dual stimuli-responsive hollow nanogel spheres serving as an efficient intracellular drug delivery platform were obtained from the spontaneous coassociation of…”
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The Brønsted acidity of three- and two-dimensional zeolites
Published in Microporous and mesoporous materials (01-07-2019)“…The zeolite activity in processes driven by Brønsted acid sites is determined by the distribution of the protons in the zeolite and strength of their…”
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