First-Principles Considerations on Catalytic Activity of Pd toward Ethanol Oxidation

Guofeng Cui; Shuqin Song; Pei Kang Shen

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First-Principles Considerations on Catalytic Activity of Pd toward Ethanol Oxidation

机译：Pd对乙醇氧化催化活性的第一性考虑

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The ethanol oxidation on Pd electrocatalysts is dramatically affected by the pH of the aqueous ethanol solution: no reaction occurs in acidic solutions, while the reaction is fast in alkaline solutions. A rationale for the origin of this pH effect on the ethanol oxidation to acetaldehyde has been provided by density functional theory (DFT) calculations. The DFT calculations show that in acidic media continued dehydrogenation of ethanol is difficult due to the lack of OH species to instantly remove hydrogen, which inhibits the ethanol electrooxidation. Conversely, both ethanol and sufficient OH can adsorb on Pd in alkaline media, leading to continuous ethanol electrooxidation.

机译：Pd电催化剂上的乙醇氧化受到乙醇水溶液pH值的显着影响：在酸性溶液中不会发生反应，而在碱性溶液中则反应会很快。密度泛函理论（DFT）计算已提供了这种pH效应对乙醇氧化为乙醛的影响的基本原理。 DFT计算表明，在酸性介质中，由于缺乏OH物种无法立即除去氢，因此乙醇难以继续脱氢，从而抑制了乙醇的电氧化。相反，乙醇和足够的OH均可在碱性介质中吸附在Pd上，从而导致乙醇连续电氧化。

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《The journal of physical chemistry, C. Nanomaterials and interfaces》 |2009年第35期|共4页
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Guofeng Cui; Shuqin Song; Pei Kang Shen;
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1. First-Principles Considerations on Catalytic Activity of Pd toward Ethanol Oxidation [J] . Guofeng Cui, Shuqin Song, Pei Kang Shen The journal of physical chemistry, C. Nanomaterials and interfaces . 2009,第35期

机译：Pd对乙醇氧化催化活性的第一性考虑
2. Catalytic activity of Pd ensembles incorporated into Au nanocluster for CO oxidation: A first-principles study [J] . Yuan D.W., Liu Z.R. Physics Letters, A . 2011,第24期

机译：掺入Au纳米团簇中的Pd团簇对CO氧化的催化活性：第一性原理研究
3. One-step aqueous synthesis of hierarchically multi-branched PdRuCu nanoassemblies with highly boosted catalytic activity for ethanol and ethylene glycol oxidation reactions [J] . Applied Surface Science . 2020,第Mara15期

机译：一步法水合制备多层多分支PdRuCu纳米组件，对乙醇和乙二醇的氧化反应具有更高的催化活性
4. Comparison the Catalytic Oxidation of Ethanol on PdO/Ce_(0.75)Zr_(0.25)O_2, PdO/CeO_2 and PdO/ZrO_2 Catalysts Studied by TPSR, TPD and TPR Techniques [C] . Rui Lin, Mengfei Luo, Yijun Zhong, Asia-Pacific Congress on Catalysis . 2003

机译：通过TPSR，TPD和TPR技术研究的PDO / Ce_（0.75）Zr_（0.75）Zr_（0.25）O_2，PDO / CEO_2和PDO / ZRO_2催化剂的乙醇催化氧化
5. Investigating the effects of Pdn cluster size and the alumina support thickness on the electronic structure, geometry, and catalytic activity, probed via the CO oxidation reaction. [D] . Kane, Matthew David. 2014

机译：研究通过PC氧化反应探测的Pdn簇尺寸和氧化铝载体厚度对电子结构，几何形状和催化活性的影响。
6. Size-dependent synthesis and catalytic activities of trimetallic PdAgCu mesoporous nanospheres in ethanol electrooxidation [O] . Hao Lv, Lizhi Sun, Lu Zou, 2019

机译：三金属PdAgCu介孔纳米球的尺寸依赖性合成及其在乙醇电氧化中的催化活性
7. Inside Cover: Role of the Metalâ Oxide Support in the Catalytic Activity of Pd Nanoparticles for Ethanol Electrooxidation in Alkaline Media (ChemElectroChem 2/2016) [O] . Monyoncho, Evans Angwenyi, Ntais, Spyridon, Brazeau, Nicolas, 2016

机译：内封面：金属氧化物载体在pd纳米粒子对碱性介质中乙醇电氧化的催化活性中的作用（ChemElectroChem 2/2016）

First-Principles Considerations on Catalytic Activity of Pd toward Ethanol Oxidation

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