Catalysis Structure & Reactivity最新文献_第7页

Photocatalytic hydrogen production by reforming of methanol using Au/TiO2, Ag/TiO2 and Au-Ag/TiO2 catalysts Au/TiO2、Ag/TiO2和Au-Ag/TiO2催化剂催化甲醇重整光催化制氢

Catalysis Structure & Reactivity Pub Date : 2015-02-01 DOI: 10.1179/2055075814Y.0000000006

J. Kennedy, W. Jones, D. Morgan, M. Bowker, Li Lu, C. Kiely, P. Wells, N. Dimitratos

引用次数: 15

Support effects in the gas phase hydrogenation of butyronitrile over palladium 钯催化丁腈气相加氢的支撑效应

Catalysis Structure & Reactivity Pub Date : 2015-02-01 DOI: 10.1179/2055075814Y.0000000002

Y. Hao, Xiaodong Wang, N. Perret, F. Cárdenas-Lizana, M. Keane

引用次数: 12

Promoting χ-Fe5C2(100)0.25 with copper – a DFT study 用铜促进χ-Fe5C2(100)0.25的DFT研究

Catalysis Structure & Reactivity Pub Date : 2015-02-01 DOI: 10.1179/2055075814Y.0000000003

E. van Steen, M. Claeys

引用次数: 6

Modification of Pd for formic acid decomposition by support grafted functional groups 负载接枝官能团修饰Pd分解甲酸

Catalysis Structure & Reactivity Pub Date : 2015-02-01 DOI: 10.1179/2055075814Y.0000000004

S. Jones, A. Kolpin, S. Tsang

引用次数: 8

Synthesis of crystalline Mo–V–W–O complex oxides with orthorhombic and trigonal structures and their application as catalysts 正交和三角结构Mo-V-W-O晶体配合氧化物的合成及其催化剂应用

Catalysis Structure & Reactivity Pub Date : 2015-01-08 DOI: 10.1179/2055075814Y.0000000009

Chuntian Qiu, Chen C Chen, S. Ishikawa, Zhenxin Zhang, T. Murayama, W. Ueda

{"title":"Synthesis of crystalline Mo–V–W–O complex oxides with orthorhombic and trigonal structures and their application as catalysts","authors":"Chuntian Qiu, Chen C Chen, S. Ishikawa, Zhenxin Zhang, T. Murayama, W. Ueda","doi":"10.1179/2055075814Y.0000000009","DOIUrl":"https://doi.org/10.1179/2055075814Y.0000000009","url":null,"abstract":"Abstract Crystalline Mo–V–W–O complex oxides with the orthorhombic or trigonal structure were synthesized by a hydrothermal method. Those Mo–V–W–O samples with various amounts of tungsten were characterized by inductively coupled plasma atomic emission spectroscopy, TEM, STEM–EDX, X-ray diffraction, Rietveld analysis, and a N2 adsorption method. It was found for the first case that an additional metal such as W can be successfully incorporated into the trigonal Mo–V–O structure by using (CH3CH2NH3)2Mo3O10.The alkylammonium cation acted as a structural stabilizer that was requisite for the formation of a trigonal structure when additional metal ions were present. For the orthorhombic Mo–V–W–O structure, introduction of W into the orthorhombic structure caused a rod segregation effect by which nanoscale crystals formed and the external surface area greatly increased. Additionally, these Mo–V–W–O materials were applied as catalysts for the gas phase selective oxidation of acrolein to acrylic acid. The best catalyst was assigned to the orthorhombic Mo–V–O–W7.5, which possessed an ordered arrangement of heptagonal and hexagonal channels and a large external surface area.","PeriodicalId":43717,"journal":{"name":"Catalysis Structure & Reactivity","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2015-01-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1179/2055075814Y.0000000009","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"65872347","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 3

Origin of catalytic activity in sponge Ni catalysts for hydrogenation of carbonyl compounds 海绵镍催化剂催化羰基化合物加氢活性的来源

Catalysis Structure & Reactivity Pub Date : 2015-01-07 DOI: 10.1179/2055075814Y.0000000010

Glenn Jones

{"title":"Origin of catalytic activity in sponge Ni catalysts for hydrogenation of carbonyl compounds","authors":"Glenn Jones","doi":"10.1179/2055075814Y.0000000010","DOIUrl":"https://doi.org/10.1179/2055075814Y.0000000010","url":null,"abstract":"Abstract Computational results are presented from density function theory (DFT) that describe the reactivity of Al and early transition metal doped, sponge Ni catalysts. To develop an understanding of the catalytic activity of these materials, the direct reduction of acetaldehyde has been studied as a test system. Use of the scaling paradigm proposed by Norskov and co-worker shows the influence of dopant atoms upon the atomic adsorption energy of C and O and consequently adsorption energies of reaction intermediates. Construction of a simple kinetic model (parameterized from DFT) demonstrates that the presence of Al improves catalytic performance of carbonyl hydrogenation by increasing the reactivity towards O containing molecules, whilst at the same time decreasing the affinity towards C. Comparison is made to acetylene hydrogenation, where the activity is dependent on the C affinity of the catalysts. It is thus suggested that should one desire to selectively hydrogenate a carbonyl group in the presence of an alkene then the use of early transition metal dopants may facilitate this selectivity. Alternatively, one could use a dopant that is able to reduce the affinity for C but maintains a high O affinity. The origin of the activity change due to doping is shown to be the intrinsic electronic structure of the dopant rather than a perturbation of the lattice constant due to the dopant atom.","PeriodicalId":43717,"journal":{"name":"Catalysis Structure & Reactivity","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2015-01-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1179/2055075814Y.0000000010","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"65872422","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Study of ethanol reactions on H2 reduced Au/TiO2 anatase and rutile: effect of metal loading on reaction selectivity 乙醇对H2还原Au/TiO2锐钛矿和金红石反应的研究:金属负载对反应选择性的影响

Catalysis Structure & Reactivity Pub Date : 2015-01-07 DOI: 10.1179/2055075814Y.0000000008

M. Nadeem, I. Majeed, Geoffrey I N Waterhouse, H. Idriss

引用次数: 22