Correlation between the surface electronic structure and CO-oxidation activity of Pt alloys

文献信息

发布日期 2014-09-17
DOI 10.1039/C4CP03406F
影响因子 3.676
作者

Hideki Yoshikawa, Ya Xu, Gubbala V. Ramesh, Toyokazu Tanabe, Rajesh Kodiyath, Shigenori Ueda, Nobuaki Sekido, Yoko Yamabe-Mitarai, Masahiko Shimoda, Takahisa Ohno, Futoshi Matsumoto, Takayuki Komatsu


查看原文

摘要

The surface electronic structure and CO-oxidation activity of Pt and Pt alloys, Pt3T (T = Ti, Hf, Ta, Pt), were investigated. At temperatures below 538 K, the CO-oxidation activities of Pt and Pt3T increased in the order Pt < Pt3Ti < Pt3hHf < Pt3Ta. The center-of-gravity of the Pt d-band (the d-band center) of Pt and Pt3T was theoretically calculated to follow the trend Pt3Ti < Pt3Ta < Pt3Hf < Pt. The CO-oxidation activity showed a volcano-type dependence on the d-band center, where Pt3Ta exhibited a maximum in activity. Theoretical calculations demonstrated that the adsorption energy of CO on the catalyst surface monotonically decreases with the lowering of the d-band center because of diminished hybridization of the surface d-band and the lowest-unoccupied molecular orbital (LUMO) of CO. The observed volcano-type correlation between the d-band center and the CO oxidation activity is rationalized in terms of the CO adsorption energy, which counterbalances the surface coverage by CO and the rate of CO oxidation.

相关文献

Anion clusters of naphthalene and solvents: structure, ion core, and intermolecular interactions

Sang Hak Lee, Jeong Hyun Kim, Inho Chu, Jae Kyu Song

2009-08-25 Paper

DOI: 10.1039/B903626A

Vibrational spectroscopy and DFT calculations of the di-amino acid peptidel-aspartyl-l-glutamic acid in the zwitterionic state

Nighat Kausar, Trevor J. Dines, Babur Z. Chowdhry, Bruce D. Alexander

2009-06-11 Paper

DOI: 10.1039/B903131F

Reactivity of poly-alcohols towards OH, NO3 and SO4− in aqueous solution

Dirk Hoffmann, Barbara Weigert, Paolo Barzaghi, Hartmut Herrmann

2009-08-17 Paper

DOI: 10.1039/B908459B

Front cover

Cover

DOI: 10.1039/C0CP90075C

Depolarisation of rotational orientation and alignment of OH (X2Π) in collisions with molecular partners: N2 and O2

Grant Paterson, Sarandis Marinakis, Matthew L. Costen, Kenneth G. McKendrick

2009-07-31 Paper

DOI: 10.1039/B909051G

Reevaluation of absolute luminescence quantum yields of standard solutions using a spectrometer with an integrating sphere and a back-thinned CCD detector

Kengo Suzuki, Atsushi Kobayashi, Shigeo Kaneko, Kazuyuki Takehira, Toshitada Yoshihara, Hitoshi Ishida, Yoshimi Shiina, Shigero Oishi, Seiji Tobita

2009-09-17 Paper

DOI: 10.1039/B912178A

您可能还喜欢

化合物问答

4-[[6-(3-苯基苯基)-7H-嘌呤-2-基]氨基]苯磺酰胺(CAS号:2079895-42-2)适用哪些法规指南?

该化合物需遵循REACH法规以确保其安全使用和管理。同时,根据其潜在的生物降解性和毒性,也需要符合GHS分类中的相应要求。此外,若用于医药或食品相关领域,则还需...

2079895-42-24-{[6-(3-Biphenylyl)...
化合物问答

反式-度骨化醇(CAS号:74007-20-8)的物理化学性质是什么?

反式-度骨化醇是一种脂溶性维生素D3的衍生物,呈无色或白色结晶性粉末,不溶于水,溶于乙醇、丙酮、氯仿等有机溶剂。其分子式为C28H44O,分子量为404.65。...

74007-20-8trans-Doxercalcifero...
化合物问答

莲花掌苷(CAS号:59282-56-3)的市场或研究趋势如何?

莲花掌苷作为一种天然产物,近年来在抗炎、抗癌等生物活性研究方面显示出一定的潜力,因此市场需求逐渐增长。市场动态方面,随着天然产物开发的深入,预计该化合物的研究会...

59282-56-3Lindleyin
化合物问答

2-溴-6-(吡咯烷-1-基)吡啶-4-硼酸频那醇酯(CAS号:1150271-64-9)应用于哪些行业?

2-溴-6-(吡咯烷-1-基)吡啶-4-硼酸频那醇酯在医药领域有着广泛的应用,它可以用作药物合成中的中间体。此外,它还可以用于有机合成,特别是在构建复杂杂环化合...

1150271-64-92-Bromo-6-(1-pyrroli...
化合物问答

什么是methyl 2-(4-bromophenyl)-3-methylbutanoate(CAS号:1061284-70-5)?

methyl 2-(4-溴苯基)-3-甲基丁酸甲酯是一种化学物质,分子式为C12H13BrO2。它是一种有机化合物,具有一定的挥发性和易燃性。

1061284-70-52-(4-Bromo-phenyl)-3...
化合物问答

CJC1-295(CAS号:863288-34-0)的物理化学性质是什么?

CJC1-295是一种具有复杂肽链结构的化合物,其分子量约为1875 Da。该化合物在水中具有一定的溶解性,但在有机溶剂中的溶解性不佳。它是一种反应活性化合物,...

863288-34-0L-tyrosyl-D-alanyl-L...
化合物问答

三正丁基锍碘(CAS号:18146-62-8)的市场或研究趋势如何?

三正丁基锍碘作为一种重要的有机硫化合物,主要用于有机合成中作为亲电试剂。近年来,由于其在合成中的广泛应用,市场对其需求持续增长。此外,随着绿色化学的发展,对其替...

18146-62-8Tributylsulfonium io...
化合物问答

雌二醇-[13C3]同位素内标(CAS号:1261254-48-1)通常如何合成?

雌二醇-[13C3]同位素内标通常通过在雌二醇分子中引入[13C3]同位素来合成。常见的方法是通过化学标记反应,如与[13C3]标记的甲基溴化物进行亲核取代反应...

1261254-48-117beta-Estradiol-2,3...
化合物问答

N1-(2-吡啶甲基)-N2-(2-甲基-1-萘基)草酰胺(CAS号:2611225-93-3)的物理化学性质是什么?

N1-(2-吡啶甲基)-N2-(2-甲基-1-萘基)草酰胺为固体化合物,具有良好的结晶形态,分子量为340.34 g/mol。该化合物在水中的溶解度较低,但在有...

2611225-93-3N-(2-Methyl-1-naphth...
化合物问答

如何处理含有十五碳烯酸甲酯(顺-10)(C15:1)标准品(CAS号:90176-52-6)的废料?

含有十五碳烯酸甲酯(顺-10)(C15:1)标准品的废料应首先进行适当收集和储存,避免与其他化学品混合。然后,可采用焚烧或交由专业废物处理公司进行处理。处理过程...

90176-52-6(Z)-10-Pentadecenoic...

来源期刊

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
自引率: 10.3%
年发文量: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

推荐供应商

免责声明
本页面提供的学术期刊信息仅供参考和研究使用。我们与任何期刊出版商均无关联,也不处理投稿事宜。如有投稿相关咨询,请直接联系相关期刊出版商。
如发现页面信息有误,请发送邮件至 support@chemtradehub.com 联系我们。我们将及时核实并处理您的问题。