Total oxidation of lean methane over cobalt spinel nanocubes?Mechanistic vistas gained from DFT modeling and catalytic isotopic investigations

Zasada Filip; Grybos Joanna; Hudy Camillo; Janas Janusz; Sojka Zbigniew

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Total oxidation of lean methane over cobalt spinel nanocubes?Mechanistic vistas gained from DFT modeling and catalytic isotopic investigations

机译：在钴尖晶石纳米尺上的瘦甲烷的总氧化α？从DFT建模和催化同位性调查中获得的机械Vistas

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来源
《Catalysis Today》 |2020年第1期|共13页
作者
Zasada Filip; Grybos Joanna; Hudy Camillo; Janas Janusz; Sojka Zbigniew;
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作者单位

Jagiellonian Univ Fac Chem Ul Gronostajowa 2 PL-30387 Krakow Poland;

Jagiellonian Univ Fac Chem Ul Gronostajowa 2 PL-30387 Krakow Poland;

Jagiellonian Univ Fac Chem Ul Gronostajowa 2 PL-30387 Krakow Poland;

Jagiellonian Univ Fac Chem Ul Gronostajowa 2 PL-30387 Krakow Poland;

Jagiellonian Univ Fac Chem Ul Gronostajowa 2 PL-30387 Krakow Poland;

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原文格式 PDF
正文语种 eng
中图分类化学动力学、催化作用;催化反应过程;
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1. Total oxidation of lean methane over cobalt spinel nanocubes?Mechanistic vistas gained from DFT modeling and catalytic isotopic investigations [J] . Zasada Filip, Grybos Joanna, Hudy Camillo, Catalysis Today . 2020,第1期

机译：在钴尖晶石纳米尺上的瘦甲烷的总氧化α？从DFT建模和催化同位性调查中获得的机械Vistas
2. Adsorption of NO2 and NO3 on Cobalt Spinel Nanocubes and Interfacial Dynamics of the Resultant NOx Adspecies (x=1, 2, and 3): DFT, Atomistic Thermodynamic, IR, and Isotopic Exchange Study [J] . Zasada Filip, Pinho Pamella Vasconcelos Borges, Piskorz Witold, The journal of physical chemistry, C. Nanomaterials and interfaces . 2020,第36期

机译：NO2和NO3对所得NOx adpecies钴尖晶石纳米轴和界面动力学的吸附（x = 1,2和3）：DFT，原子热力学，IR和同位素交换研究
3. Surface oxygen dynamics and H-2 oxidation on cobalt spinel surface probed by O-18/O-16 isotopic exchange and accounted for by DFT molecular modeling: facile interfacial oxygen atoms flipping through transient peroxy intermediate [J] . Zasada Filip, Janas Janusz, Piskorz Witold, Research on Chemical Intermediates . 2017,第5期

机译：O-18 / O-16同位素交换探测的钴尖晶石表面上的表面氧动力学和H-2氧化，并通过DFT分子建模占：通过瞬时过氧中间体翻转的容易界面氧原子
4. Oxidation of Lean Premixed Methane-Air mixtures over Cobalt Oxide/Chromium Oxide Binary Catalysts [C] . A. M. Depiak, I. Wierzba ASME Energy Sources Technology Conference . 1998

机译：氧化钴氧化铬/氧化铬二元催化剂上贫液预混甲烷 - 空气混合物的氧化
5. DFT study and kinetic model for investigating oxidation of methane over bimetallic catalyst. [D] . Kim, Sungsik. 2016

机译：用于研究双金属催化剂上甲烷氧化的DFT研究和动力学模型。
6. Synthesis Characterization and Kinetic Behavior of Supported Cobalt Catalysts for Oxidative after-Treatment of Methane Lean Mixtures [O] . Andoni Choya, Beatriz de Rivas, Jose Ignacio Gutiérrez-Ortiz, 2019

机译：甲烷稀混合物的氧化后处理负载型钴催化剂的合成表征和动力学行为
7. The effect of the preparation method of Pd-doped cobalt spinel on the catalytic activity in methane oxidation under lean fuel conditions [O] . Ercolino, Giuliana, Grodzka, A., Grzybek, G., 2017

机译：贫燃料条件下Pd掺杂钴尖晶石的制备方法对甲烷氧化催化活性的影响

Total oxidation of lean methane over cobalt spinel nanocubes?Mechanistic vistas gained from DFT modeling and catalytic isotopic investigations

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