Atomically dispersed nano Au clusters stabilized by Zr on the TS-1 surface: Significant enhancement of catalytic oxidation ability using H2 and O2

[1]  Jun Yu Li,et al.  Metal Affinity of Support Dictates Sintering of Gold Catalysts. , 2022, Journal of the American Chemical Society.

[2]  A. Macková,et al.  Combined Au/Ag nanoparticle creation in ZnO nanopillars by ion implantation for optical response modulation and photocatalysis , 2022, Applied Surface Science.

[3]  Yongli Shen,et al.  In Situ TEM Observation of the Atomic Transport Process during the Coalescence of Au Nanoparticles. , 2022, Nano letters.

[4]  Guilherme V. Fortunato,et al.  Using Au NPs anchored on ZrO2/carbon black toward more efficient H2O2 electrogeneration in flow-by reactor for carbaryl removal in real wastewater , 2022, Chemical Engineering Journal.

[5]  G. Hutchings,et al.  Reversible Growth of Gold Nanoparticles in the Low-Temperature Water–Gas Shift Reaction , 2022, ACS nano.

[6]  F. Ribeiro,et al.  Kinetics of Propylene Epoxidation over Extracrystalline Gold Active Sites on AU/TS-1 Catalysts , 2022, ACS Catalysis.

[7]  Zhi‐Xin Guo,et al.  Design and construction of an O-Au-O coordination environment in Au single atom-doped Ti4+ defected TiO2 for an enhanced oxidative ability of lattice oxygen for Hg0 oxidation , 2022, Chemical Engineering Journal.

[8]  Xinggui Zhou,et al.  Engineering Gold Impregnated Uncalcined TS‑1 to Boost Catalytic Formation of Propylene Oxide , 2022, Applied Catalysis B: Environmental.

[9]  Hui Hu,et al.  Propylene Epoxidation over Au/TS-1 Modified by Ammonium Salt: Enhancement of the Attractiveness of Gold Precursors and Supports , 2022, Chemical Physics Letters.

[10]  P. D. de Jongh,et al.  Influence of the Support on Propene Oxidation over Gold Catalysts , 2022, Catalysts.

[11]  Qingming Huang,et al.  Theoretical comparative study on the mechanism of gas phase epoxidation of propylene about complete and defective dimer MoO , 2022, Computational and Theoretical Chemistry.

[12]  G. Thornton,et al.  Direct Visualization of a Gold Nanoparticle Electron Trapping Effect. , 2022, Journal of the American Chemical Society.

[13]  Matthew G. Quesne,et al.  Au-ZSM-5 catalyses the selective oxidation of CH4 to CH3OH and CH3COOH using O2 , 2022, Nature Catalysis.

[14]  T. Lu,et al.  Independent gradient model based on Hirshfeld partition: A new method for visual study of interactions in chemical systems , 2021, J. Comput. Chem..

[15]  L. Liz‐Marzán,et al.  An Extended Protocol for the Synthesis of Monodisperse Gold Nanotriangles. , 2021, ACS nano.

[16]  A. Giroir‐Fendler,et al.  Total oxidation of propane over Co3O4-based catalysts: Elucidating the influence of Zr dopant , 2021 .

[17]  Jun Zhang,et al.  Efficient evaluation of electrostatic potential with computerized optimized code. , 2021, Physical chemistry chemical physics : PCCP.

[18]  L. Lv,et al.  Exploring the mechanism of ZrO2 structure features on H2O2 activation in Zr–Fe bimetallic catalyst , 2021, Applied Catalysis B: Environmental.

[19]  P. D. de Jongh,et al.  Steering the Selectivity in Gold–Titanium-Catalyzed Propene Oxidation by Controlling the Surface Acidity , 2021, The Journal of Physical Chemistry C.

[20]  F. Xiao,et al.  Partial oxidation of propylene with H2 and O2 over Au supported on ZrO2 with different structural and surface properties , 2021 .

[21]  M. Coppens,et al.  Precisely Engineered Supported Gold Clusters as a Stable Catalyst for Propylene Epoxidation , 2021, Angewandte Chemie.

[22]  W. N. Porter,et al.  Experimental and theoretical studies of reaction pathways of direct propylene epoxidation on model catalyst surfaces , 2021 .

[23]  Q. Zhong,et al.  Competition of propylene hydrogenation and epoxidation over Au-Pd/TS-1 bimetallic catalysts for gas-phase epoxidation of propylene with O2 and H2 , 2021 .

[24]  J. Greeley,et al.  Gold Stability and Diffusion in the Au/TS-1 Catalyst , 2021 .

[25]  Liming Zhang,et al.  Homogeneous Gold-Catalyzed Oxidation Reactions. , 2021, Chemical reviews.

[26]  Jiatao Zhang,et al.  Catalytic Nanomaterials toward Atomic Levels for Biomedical Applications: From Metal Clusters to Single-Atom Catalysts. , 2021, ACS nano.

[27]  Anilesh Kumar,et al.  Divergent Gold Catalysis: Unlocking Molecular Diversity through Catalyst Control. , 2021, Chemical reviews.

[28]  Jiawei Wang,et al.  Interfacial facet engineering on the Schottky barrier between plasmonic Au and TiO2 in boosting the photocatalytic CO2 reduction under ultraviolet and visible light irradiation , 2021 .

[29]  D. Shukla,et al.  The shape of water in zeolites and its impact on epoxidation catalysis , 2020, Nature Catalysis.

[30]  Yue M. Liu,et al.  Control of Ti active-site microenvironment in titanosilicate catalysts and its effect on oxidation pathways , 2021 .

[31]  Gang Wang,et al.  Zeolite crystal size effects of Au/uncalcined TS-1 bifunctional catalysts on direct propylene epoxidation with H2 and O2 , 2020 .

[32]  I. Arčon,et al.  Effect of Na, Cs and Ca on propylene epoxidation selectivity over CuOx/SiO2 catalysts studied by catalytic tests, in-situ XAS and DFT , 2020 .

[33]  De Chen,et al.  Enhancing the dynamic electron transfer of Au species on wormhole-like TS-1 for boosting propene epoxidation performance with H2 and O2 , 2020 .

[34]  C. Copéret,et al.  Efficient epoxidation over dinuclear sites in titanium silicalite-1 , 2020, Nature.

[35]  Jinpeng Yin,et al.  Highly selective 1-pentene epoxidation over Ti-MWW with modified microenvironment of Ti active sites , 2020 .

[36]  Y. Lei,et al.  Gold Catalysts Synthesized Using a Modified Incipient Wetness Impregnation Method for Propylene Epoxidation , 2020 .

[37]  P. Torelli,et al.  Titanium defective sites in TS-1: structural insights by combining spectroscopy and simulation. , 2020, Angewandte Chemie.

[38]  Danhong Zhou,et al.  Theoretical investigation on the spectroscopic properties and catalytic activities of the Ti-Hydroperoxo intermediates in titanosilicate zeolites , 2020, Microporous and Mesoporous Materials.

[39]  Jun Luo,et al.  Dynamic co-catalysis of Au single atoms and nanoporous Au for methane pyrolysis , 2020, Nature Communications.

[40]  Xiaohong Li,et al.  Relation of Selective Oxidation Catalytic Performance to Microenvironment of TiIV Active Site Based on Isotopic Labeling , 2020 .

[41]  Yao Zhou,et al.  Seed-Induced Zeolitic TS-1 Immobilized with Bioinspired-Au Nanoparticles for Propylene Epoxidation with O2 and H2 , 2020, Catalysis Letters.

[42]  Q. Zhong,et al.  Higher gold atom efficiency over Au-Pd/TS-1 alloy catalysts for the direct propylene epoxidation with H2 and O2 , 2019 .

[43]  M. Haruta,et al.  Importance of Size and Contact Structure of Gold Nanoparticles for the Genesis of Unique Catalytic Processes. , 2019, Chemical reviews.

[44]  Xinggui Zhou,et al.  Cost-efficient core-shell TS-1/silicalite-1 supported Au catalysts: Towards enhanced stability for propene epoxidation with H2 and O2 , 2019 .

[45]  K. D. de Jong,et al.  Control of metal-support interactions in heterogeneous catalysts to enhance activity and selectivity , 2019, Nature Catalysis.

[46]  C. Wentrup.  Fulminating Gold and Silver. , 2019, Angewandte Chemie.

[47]  Benjamin P Pritchard,et al.  New Basis Set Exchange: An Open, Up-to-Date Resource for the Molecular Sciences Community , 2019, J. Chem. Inf. Model..

[48]  Xinwen Guo,et al.  Mechanistic Insight into Propylene Epoxidation with H2O2 over TS-1: Effects of Zeolite Confinement and Solvent. , 2019, The journal of physical chemistry. B.

[49]  B. Liu,et al.  Supported Noble‐Metal Single Atoms for Heterogeneous Catalysis , 2019, Advanced materials.

[50]  Xinggui Zhou,et al.  Manipulating Gold Spatial Location on Titanium Silicalite-1 To Enhance the Catalytic Performance for Direct Propene Epoxidation with H2 and O2 , 2018, ACS Catalysis.

[51]  Xinggui Zhou,et al.  Enhanced Catalytic Performance for Propene Epoxidation with H2 and O2 over Bimetallic Au–Ag/Uncalcined Titanium Silicate-1 Catalysts , 2018, ACS Catalysis.

[52]  C. Lamberti,et al.  Effect of Ti Speciation on Catalytic Performance of TS-1 in the Hydrogen Peroxide to Propylene Oxide Reaction , 2018 .

[53]  M. Janik,et al.  Evaluating differences in the active-site electronics of supported Au nanoparticle catalysts using Hammett and DFT studies. , 2018, Nature chemistry.

[54]  J. Contreras-Garcı́a,et al.  Accurately extracting the signature of intermolecular interactions present in the NCI plot of the reduced density gradient versus electron density. , 2017, Physical chemistry chemical physics : PCCP.

[55]  Liang Zhao,et al.  Aun (n = 1-16) clusters on the ZrO2(111) surface: a DFT+U investigation. , 2016, Physical chemistry chemical physics : PCCP.

[56]  Hua Li,et al.  Green and efficient epoxidation of propylene with hydrogen peroxide (HPPO process) catalyzed by hollow TS-1 zeolite: A 1.0 kt/a pilot-scale study , 2016 .

[57]  Jiale Huang,et al.  Propylene epoxidation over biogenic Au/TS-1 catalysts by Cinnamomum camphora extract in the presence of H 2 and O 2 , 2016 .

[58]  Zhi Li,et al.  Structures, Electronic Properties and Growth Strategies of the Fe(ZrO2)n (n≤6) Clusters: Ab Initio Calculations , 2015 .

[59]  Carlo Lamberti,et al.  Reactivity of surface species in heterogeneous catalysts probed by in situ X-ray absorption techniques. , 2013, Chemical reviews.

[60]  Na Li,et al.  State of the art in gold nanoparticle synthesis , 2013 .

[61]  F. Gao,et al.  Pd-Au bimetallic catalysts: understanding alloy effects from planar models and (supported) nanoparticles. , 2012, Chemical Society reviews.

[62]  T. Lu,et al.  ATOMIC DIPOLE MOMENT CORRECTED HIRSHFELD POPULATION METHOD , 2012 .

[63]  Tian Lu,et al.  Multiwfn: A multifunctional wavefunction analyzer , 2012, J. Comput. Chem..

[64]  Shiping Huang,et al.  Theoretical investigation of adsorption and dissociation of H 2 on (ZrO 2) n ( n=16) clusters , 2011 .

[65]  T. Akita,et al.  Propene epoxidation with O2 and H2: Identification of the most active gold clusters , 2011 .

[66]  Richard L Martin,et al.  Revised Basis Sets for the LANL Effective Core Potentials. , 2008, Journal of chemical theory and computation.

[67]  F. Weigend,et al.  Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy. , 2005, Physical chemistry chemical physics : PCCP.

[68]  W. Delgass,et al.  Enhancement of Au capture efficiency and activity of Au/TS-1 catalysts for propylene epoxidation , 2005 .

[69]  R. Kumar,et al.  Reactive oxo-titanium species in titanosilicate molecular sieves: EPR investigations and structure–activity correlations , 2003 .

[70]  V. Barone,et al.  Toward reliable density functional methods without adjustable parameters: The PBE0 model , 1999 .

[71]  Toshio Hayashi,et al.  Selective Vapor-Phase Epoxidation of Propylene over Au/TiO2Catalysts in the Presence of Oxygen and Hydrogen , 1998 .

[72]  K Schulten,et al.  VMD: visual molecular dynamics. , 1996, Journal of molecular graphics.

[73]  Gernot Frenking,et al.  A set of f-polarization functions for pseudo-potential basis sets of the transition metals ScCu, YAg and LaAu , 1993 .

[74]  H. Stoll,et al.  Energy-adjustedab initio pseudopotentials for the second and third row transition elements , 1990 .

[75]  W. R. Wadt,et al.  Ab initio effective core potentials for molecular calculations. Potentials for K to Au including the outermost core orbitals , 1985 .

[76]  Mark S. Gordon,et al.  Self‐consistent molecular orbital methods. XXIII. A polarization‐type basis set for second‐row elements , 1982 .

[77]  A. D. McLean,et al.  Contracted Gaussian basis sets for molecular calculations. I. Second row atoms, Z=11–18 , 1980 .

[78]  J. Pople,et al.  Self‐consistent molecular orbital methods. XX. A basis set for correlated wave functions , 1980 .