최소 단어 이상 선택하여야 합니다.
최대 10 단어까지만 선택 가능합니다.
다음과 같은 기능을 한번의 로그인으로 사용 할 수 있습니다.
NTIS 바로가기Applied surface science, v.433, 2018년, pp.1036 - 1048
He, Bingling (College of Physics and Electronic Engineering, Xinxiang University, Xinxiang 453003, China) , Wang, Jinlong (College of Physics and Electronic Engineering, Xinxiang University, Xinxiang 453003, China) , Ma, Dongwei (School of Physics, Anyang Normal University, Anyang 455000, China) , Tian, Zhixue (College of Physics and Information Engineering, Hebei Normal University, Shijiazhuang, Hebei 050024, China) , Jiang, Lijuan (College of Physics and Electronic Engineering, Xinxiang University, Xinxiang 453003, China) , Xu, Yan (College of Physics and Electronic Engineering, Xinxiang University, Xinxiang 453003, China) , Cheng, Sujun (College of Physics and Electronic Engineering, Xinxiang University, Xinxiang 453003, China)
Abstract The adsorption of single Pd atoms on the various CeO2 surfaces, including (111), (110), and (100), has been studied based on the first-principles calculations. It is found that, according to the calculated adsorption energy, interaction strength between Pd and the three CeO2 surfaces follo...
Angew. Chem. Schlögl 127 3531 2015 10.1002/ange.201410738 Heterogene Katalysatoren-fundamental betrachtet
Chem. Soc. Rev. Li 43 1543 2014 10.1039/C3CS60296F Morphology-dependent nanocatalysts: Rod-shaped oxides
Chem. Rev. Vohs 113 4136 2013 10.1021/cr300328u Site requirements for the adsorption and reaction of oxygenates on etal oxide surfaces
Chem. Rev. Woodruff 113 3863 2013 10.1021/cr3002998 Quantitative structural studies of corundum and rocksalt oxide surfaces
J. Mater. Sci. Lu 51 10400 2016 10.1007/s10853-016-0260-6 The mechanism of oxygen activation on single Pt-atom doped SnO2 (110) surface
Chem. Soc. Rev. Zaera 42 2746 2013 10.1039/C2CS35261C Nanostructured materials for applications in heterogeneous catalysis
Chem. Rev. Fernando 115 6112 2015 10.1021/cr500506r Quantum mechanical studies of large metal oxide, and metal chalcogenide nanoparticles and clusters
Chem. Soc. Rev. Weaver 43 7536 2014 10.1039/C3CS60420A Alkane activation on crystalline metal oxide surfaces
Chem. Commun. Huang 50 1634 2014 10.1039/c3cc48527g Facet-dependent properties of polyhedral nanocrystals
Nanoscale Pal 7 14159 2015 10.1039/C5NR03395K Faceted metal and metal oxide nanoparticles: design, fabrication and catalysis
Acc. Chem. Res. Huang 49 520 2016 10.1021/acs.accounts.5b00537 Oxide nanocrystal model catalysts
Chem-Asian J. Zhou 11 1470 2016 10.1002/asia.201600115 Shape engineering of oxide nanoparticles for heterogeneous catalysis
Z. Kristallogr. Wulff 34 449 1901 10.1524/zkri.1901.34.1.449 On the question of speed of growth and dissolution of crystal surfaces
Science Zhan 308 844 2005 10.1126/science.1109213 An octane-fueled solid oxide fuel cell
J. Catal. Chang 293 195 2012 10.1016/j.jcat.2012.06.025 Shape-dependent interplay between oxygen vacancies and Ag-CeO2 interaction in Ag/CeO2 catalysts and their influence on the catalytic activity
ChemCatChem Gao 5 3610 2013 10.1002/cctc.201300709 Morphology effect of CeO2 support in the preparation, metal-support interaction, and catalytic performance of Pt/CeO2 catalysts
Catal. Sci. Technol. Huang 4 3772 2014 10.1039/C4CY00679H Morphology-dependent surface chemistry and catalysis of CeO2 nanocrystals
J. Catal. Wu 285 61 2012 10.1016/j.jcat.2011.09.011 On the structure dependence of CO oxidation over CeO2 nanocrystals with well-defined surface planes
J. Catal. Désaunay 297 193 2013 10.1016/j.jcat.2012.10.011 Surface-dependent oxidation of H2 on CeO2 surfaces
J. Mater. Chem. A Deori 3 6909 2015 10.1039/C4TA06547F (100) surface-exposed CeO2 nanocubes as an efficient heterogeneous catalyst in the tandem oxidation of benzyl alcohol, para-chlorobenzyl alcohol and toluene to the corresponding aldehydes selectively
J. Phys. Chem. C Kropp 119 23021 2015 10.1021/acs.jpcc.5b07186 Activity versus selectivity of the methanol oxidation at ceria surfaces: a comparative first-principles study
ACS Catal. Aneggi 4 172 2014 10.1021/cs400850r Shape-dependent activity of ceria in soot combustion
Angew. Chem. Si 120 2926 2008 10.1002/ange.200705828 Shape and crystal-plane effects of nanoscale ceria on the activity of Au-CeO2 catalysts for the water-gas shift reaction
ChemSusChem Agarwal 6 1898 2013 10.1002/cssc.201300651 Exposed surfaces on shape-controlled ceria nanoparticles revealed through AC-TEM and water-gas shift reactivity
Catal. Today Trovarelli 50 353 1999 10.1016/S0920-5861(98)00515-X The utilization of ceria in industrial catalysis
Catal. Today Han 158 481 2010 10.1016/j.cattod.2010.07.020 Performance of dynamic oxygen storage capacity, water-gas shift and steam reforming reactions over Pd-only three-way catalysts
Catal. Commun. Xiao 6 796 2005 10.1016/j.catcom.2005.07.015 Low-temperature catalytic combustion of methane over Pd/CeO2 prepared by deposition-precipitation method
J. Catal. Mayernick 278 16 2011 10.1016/j.jcat.2010.11.006 Methane oxidation on Pd-Ceria: a DFT study of the mechanism over PdxCe1-xO2, Pd, and PdO
J. Phys. Chem. C Song 119 27505 2015 10.1021/acs.jpcc.5b09293 A DFT study of CO oxidation at the Pd-CeO2(110) interface
Solid State Ionics Gorte 175 1 2004 10.1016/j.ssi.2004.09.036 Recent developments on anodes for direct fuel utilization in SOFC
Electrochem. Solid State Lett. McIntosh 6 A240 2003 10.1149/1.1613231 Effect of precious-metal dopants on SOFC anodes for direct utilization of hydrocarbons
J. Mater. Sci. Guo 51 10917 2016 10.1007/s10853-016-0303-z The effects of ceria morphology on the properties of Pd/ceria catalyst for catalytic oxidation of low-concentration methane
Environ. Sci. Technol. Tan 49 8675 2015 10.1021/acs.est.5b01264 Support morphology-dependent catalytic activity of Pd/CeO2 for formaldehyde oxidation
ACS Catal. Hu 6 2265 2016 10.1021/acscatal.5b02617 Effect of ceria crystal plane on the physicochemical and catalytic properties of Pd/Ceria for CO and propane oxidation
J. Chem. Phys. Mayernick 131 084701 2009 10.1063/1.3207283 Ab initio thermodynamic evaluation of Pd atom interaction with CeO2 surfaces
Phys. Chem. Chem. Phys. Choi 16 22588 2014 10.1039/C4CP03366C A DFT+ U computational study on stoichiometric and oxygen deficient M-CeO2 systems (M=Pd1, Rh1, Rh10, Pd10 and Rh4Pd6)
Angew. Chem. Kopelent 127 8852 2015 10.1002/ange.201503022 Catalytically active and spectator Ce3+ in ceria-supported metal catalysts
J. Phys. Chem. Lett. Artiglia 8 102 2017 10.1021/acs.jpclett.6b02314 Introducing time resolution to detect Ce3+ catalytically active sites at the Pt/CeO2 interface through ambient pressure X-ray photoelectron spectroscopy
J. Phys. Chem. C Zhao 116 15986 2012 10.1021/jp3016326 Superoxide and peroxide species on CeO2 (111), and their oxidation roles
J. Power Sources Chen 234 69 2013 10.1016/j.jpowsour.2013.01.121 Charge transfer and formation of Ce3+ upon adsorption of metal atom M (M=Cu, Ag Au) on CeO2 (100) surface
Phys. Chem. Chem. Phys. Cui 14 1923 2012 10.1039/c2cp22720g First-principles investigation of transition metal atom M (M=Cu, Ag Au) adsorption on CeO2 (110)
J. Power Sources Tang 197 28 2012 10.1016/j.jpowsour.2011.09.026 Electronic states of metal (Cu, Ag, Au) atom on CeO2 (111) surface: the role of local structural distortion
Appl. Surf. Sci. Ma 394 47 2017 10.1016/j.apsusc.2016.10.087 Platinum adsorption on ceria: a comparative theoretical study of different surfaces
J. Mater. Chem. A Lu 2 2333 2014 10.1039/C3TA11169E Several different charge transfer and Ce3+ localization scenarios for Rh-CeO2(111)
Phys. Rev. B Kresse 47 558 1993 10.1103/PhysRevB.47.558 Ab initio molecular dynamics for liquid metals
Comp. Mater. Sci. Kresse 6 15 1996 10.1016/0927-0256(96)00008-0 Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
Phys. Rev. B Kresse 54 11169 1996 10.1103/PhysRevB.54.11169 Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
Phys. Rev. B Blöchl 50 17953 1994 10.1103/PhysRevB.50.17953 Projector augmented-wave method
Phys. Rev. B Kresse 59 1758 1999 10.1103/PhysRevB.59.1758 From ultrasoft pseudopotentials to the projector augmented-wave method
Phys. Rev. Lett. Perdew 77 3865 1996 10.1103/PhysRevLett.77.3865 Generalized gradient approximation made simple
Phys. Rev. B Anisimov 44 943 1991 10.1103/PhysRevB.44.943 Band theory and mott insulators: hubbard U instead of stoner I
Phys. Rev. B Dudarev 57 1505 1998 10.1103/PhysRevB.57.1505 Electron-energy-loss spectra and the structural stability of nickel oxide: an LSDA+U study
J. Phys. Chem. C Huang 112 8643 2008 10.1021/jp709898r CO adsorption and oxidation on ceria surfaces from DFT+U calculations
J. Phys. Chem. B Fabris 109 22860 2005 10.1021/jp0511698 Electronic and atomistic structures of clean and reduced ceria surfaces
Phys. Rev. B Fabris 72 237102 2005 10.1103/PhysRevB.72.237102 Reply to comment on ‘Taming multiple valency with density functionals: a case study of defective ceria
Phys. Rev. B Andersson 75 035109 2007 10.1103/PhysRevB.75.035109 Modeling of CeO2 Ce2O3, and CeO2-x in the LDA+ U formalism
Surf. Sci. Nolan 576 217 2005 10.1016/j.susc.2004.12.016 Density functional theory studies of the structure and electronic structure of pure and defective low index surfaces of ceria
J. Phys. Chem. C Yang 114 4486 2010 10.1021/jp909174u Physisorbed chemisorbed, and oxidized CO on highly active Cu-CeO2 (111)
J. Phys. Chem. C Hakanoglu 114 11485 2010 10.1021/jp101715j Strong kinetic isotope effect in the dissociative chemisorption of H2 on a PdO (101) thin film
J. Phys. Chem. C Kan 113 1495 2009 10.1021/jp808008k Adsorption of water on a PdO(101) thin film: evidence of an adsorbed HO-H2O complex
Phys. Rev. Lett. Sterrer 98 096107 2007 10.1103/PhysRevLett.98.096107 Control of the charge state of metal atoms on thin MgO films
Nanoscale Zhang 9 3140 2017 10.1039/C6NR09297G Towards highly active Pd/CeO2 for alkene hydrogenation by tuning Pd dispersion and surface properties of catalysts
J. Solid State Chem. Kümmerle 147 485 1999 10.1006/jssc.1999.8403 The structures of C-Ce2O3+δ, Ce7O12, and Ce11O20
Phys. Rev. B Monkhorst 13 5188 1976 10.1103/PhysRevB.13.5188 Special points for Brillouin-zone integrations
Phys. Rev. B Skorodumova 69 075401 2004 10.1103/PhysRevB.69.075401 Surface properties of CeO2 from first principles
Phys. Chem. Chem. Phys. Hernandez 11 5246 2009 10.1039/b820373c Electronic charge transfer between ceria surfaces and gold adatoms: a GGA+U investigation
Comp. Mater. Sci. Henkelman 36 354 2006 10.1016/j.commatsci.2005.04.010 A fast and robust algorithm for Bader decomposition of charge density
Phys. Lett. A Yang 369 132 2007 10.1016/j.physleta.2007.04.068 Oxygen vacancy formation energy at the Pd/CeO2 (111) interface
J. Phys.: Condens. Matter Lu 22 475003 2010 Interfacial properties of NM/CeO2 (111) (NM=noble metal atoms or clusters of Pd Pt and Rh): A first principles study
Phys. Chem. Chem. Phys. Alfredsson 4 6100 2002 10.1039/b204680f A comparison between metal supported c-ZrO2 and CeO2
J. Less Common Met. Kumar 147 59 1989 10.1016/0022-5088(89)90148-3 Formation of NaCl- and Cu2O-type oxides of platinum and palladium on carbon and alumina support films
J. Chem. Phys. Blanco-Rey 130 2009 10.1063/1.3046683 Methane dissociation and methyl diffusion on PdO (100)
Phys. Rev. Lett. Derzsi 113 025505 2014 10.1103/PhysRevLett.113.025505 Structures of late transition metal monoxides from Jahn-Teller instabilities in the rock salt lattice
Phys. Rev. B Yang 76 075421 2007 10.1103/PhysRevB.76.075421 First-principles study of the Pt/CeO2 (111) interface
J. Alloys Compd. Hirosaki 351 31 2003 10.1016/S0925-8388(02)01043-5 Ab initio calculation of the crystal structure of the lanthanide Ln2O3 sesquioxides
Phys. Rev. B Rogal 69 075421 2004 10.1103/PhysRevB.69.075421 Thermodynamic stability of PdO surfaces
Surf. Sci. Nolan 595 223 2005 10.1016/j.susc.2005.08.015 The electronic structure of oxygen vacancy defects at the low index surfaces of ceria
J. Chem. Phys. Yang 120 7741 2004 10.1063/1.1688316 Atomic and electronic structure of unreduced and reduced CeO2 surfaces: a first-principles study
Phys. Chem. Chem. Phys. Nolan 8 216 2006 10.1039/B514782D CeO2 catalysed conversion of CO, NO2 and NO from first principles energetics
Appl. Catal. B-Environ. Luo 87 92 2009 10.1016/j.apcatb.2008.08.017 One-step synthesis of nanostructured Pd-doped mixed oxides MOx-CeO2 (M=Mn, Fe Co, Ni, Cu) for efficient CO and C3H8 total oxidation
J. Phys. Chem. C Neitzel 120 9852 2016 10.1021/acs.jpcc.6b02264 Atomically dispersed Pd, Ni, and Pt Species in ceria-based catalysts: principal differences in stability and reactivity
※ AI-Helper는 부적절한 답변을 할 수 있습니다.