Doklady Physical Chemistry最新文献_第4页

Iridium-Containing Automotive Emission Control Catalysts 含铱汽车排放控制催化剂

IF 0.9 4区化学

Doklady Physical Chemistry Pub Date : 2023-02-20 DOI: 10.1134/S0012501622600218

A. A. Vedyagin, V. O. Stoyanovskii, R. M. Kenzhin, P. E. Plyusnin, Yu. V. Shubin

引用次数: 0

New Approaches to the Synthesis of Ultralow-Palladium Automotive Emission Control Catalysts 超低钯汽车尾气控制催化剂的合成新方法

IF 0.9 4区化学

Doklady Physical Chemistry Pub Date : 2023-02-20 DOI: 10.1134/S001250162260019X

T. N. Rostovshchikova, M. I. Shilina, S. A. Gurevich, D. A. Yavsin, G. B. Veselov, A. A. Vedyagin

引用次数: 3

Utilization of Acetone, By-Product of Cumene Process for Phenol Production, via BaSnO3-Catalyzed Aldol Condensation 苯丙烯工艺副产物丙酮在basno3催化醛醇缩合制苯酚中的应用

IF 0.9 4区化学

Doklady Physical Chemistry Pub Date : 2023-02-20 DOI: 10.1134/S0012501622600231

T. V. Bogdan, P. A. Krasnikov, A. V. Smirnov, A. E. Koklin, N. V. Mashchenko, V. I. Bogdan

引用次数: 1

Dry Reforming of Methane on Ni-Containing La2O3 and La2O3–Mn2O3 Catalysts: Effect of the Preparation Method 甲烷在含镍La2O3和La2O3 - mn2o3催化剂上的干重整:制备方法的影响

IF 0.9 4区化学

Doklady Physical Chemistry Pub Date : 2023-01-31 DOI: 10.1134/S0012501622600176

N. V. Dorofeeva, T. S. Kharlamova, V. La Parola, L. F. Liotta, O. V. Vodyankina

{"title":"Dry Reforming of Methane on Ni-Containing La2O3 and La2O3–Mn2O3 Catalysts: Effect of the Preparation Method","authors":"N. V. Dorofeeva, T. S. Kharlamova, V. La Parola, L. F. Liotta, O. V. Vodyankina","doi":"10.1134/S0012501622600176","DOIUrl":"10.1134/S0012501622600176","url":null,"abstract":"Nickel-containing supported catalysts based on oxides La2O3 and La2O3–Mn2O3 (nLa/nMn = 1/1) synthesized by various methods have been studied in dry reforming of methane (DRM). The effect of the synthesis method on the phase composition and structure of the supports and the catalysts has been studied by low-temperature nitrogen adsorption, X-ray powder diffraction, transmission electron microscopy, and Raman spectroscopy. Deficient lanthanum manganite synthesized by the citrate method interacts with nickel ions to form LaNixMn1–xO3 in the surface layer. In the course of reduction of the oxidized precursor with hydrogen, particles of the active component are formed from NiO and LaNixMn1 – xO3, and the proportion between them depends on the ordering of the LaMnO3 + δ support. The H2 : CO ratio changes from 0.7 to 0.8 for the Ni/LaMnO3 and Ni/La2O3 catalysts, respectively; however, for the perovskite sample, no carbon deposition is observed for 8.5 h.","PeriodicalId":532,"journal":{"name":"Doklady Physical Chemistry","volume":null,"pages":null},"PeriodicalIF":0.9,"publicationDate":"2023-01-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"4052184","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 1

Effect of the Type of Active Component–Support Interaction on the Low-Temperature Activity of Metal–Oxide Catalysts in CO Oxidation 活性组分-载体相互作用类型对CO氧化金属氧化物催化剂低温活性的影响

IF 0.9 4区化学

Doklady Physical Chemistry Pub Date : 2023-01-31 DOI: 10.1134/S0012501622700051

A. I. Stadnichenko, E. M. Slavinskaya, E. D. Fakhrutdinova, T. Yu. Kardash, V. A. Svetlichnyi, A. I. Boronin

{"title":"Effect of the Type of Active Component–Support Interaction on the Low-Temperature Activity of Metal–Oxide Catalysts in CO Oxidation","authors":"A. I. Stadnichenko, E. M. Slavinskaya, E. D. Fakhrutdinova, T. Yu. Kardash, V. A. Svetlichnyi, A. I. Boronin","doi":"10.1134/S0012501622700051","DOIUrl":"10.1134/S0012501622700051","url":null,"abstract":"The Pt–SnOx, Pd–SnOx, and Au–SnOx composite catalysts were synthesized by pulsed laser ablation. The catalyst testing in the CO + O2 reaction showed that the action of the reaction medium can induce both partial deactivation (Pt–SnOx) and activation (Au–SnOx) of the catalysts. The Pd–SnOx catalyst has a high activity even in the initial state, and the effect of the reaction medium is slight. It was shown that gold and platinum mainly exist in the metallic state, while palladium exists as PdO nanoparticles. Electron transfer between the active component and support particles was detected for the Pt–SnOx and Au–SnOx catalysts. Electron donation effect from the support, enhanced by the action of the reaction medium, was found for Au–SnOx. This effect was assumed to determine the low-temperature activity of the catalyst towards the CO oxidation.","PeriodicalId":532,"journal":{"name":"Doklady Physical Chemistry","volume":null,"pages":null},"PeriodicalIF":0.9,"publicationDate":"2023-01-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"4052190","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 1

Catalysts for Low-Temperature CO Oxidation Based on Platinum, CeO2, and Carbon Nanotubes 基于铂、CeO2和碳纳米管的低温CO氧化催化剂

IF 0.9 4区化学

Doklady Physical Chemistry Pub Date : 2023-01-31 DOI: 10.1134/S0012501622700038

L. S. Kibis, A. N. Korobova, A. V. Zadesenets, A. V. Romanenko, T. Yu. Kardash, O. A. Stonkus, S. V. Korenev, O. Yu. Podyacheva, E. M. Slavinskaya, A. I. Boronin

引用次数: 1

Bis(1-naphthylimino)acenaphthene: Redox Properties and One-Electron Reduction 双(1-萘基)苊:氧化还原性质和单电子还原

IF 0.9 4区化学

Doklady Physical Chemistry Pub Date : 2023-01-31 DOI: 10.1134/S0012501622600164

V. V. Khrizanforova, T. P. Gerasimova, V. I. Morozov, D. R. Islamov, Yu. H. Budnikova

引用次数: 0

Self-Assembling Polymer Nanocomposites Based on Symmetric Diblock Copolymers: Mesoscopic Modeling 基于对称双嵌段共聚物的自组装聚合物纳米复合材料:介观模拟

IF 0.9 4区化学

Doklady Physical Chemistry Pub Date : 2023-01-30 DOI: 10.1134/S0012501622600152

P. V. Komarov, M. D. Malyshev, P. G. Khalatur, A. R. Khokhlov

引用次数: 0

Relationship of the Impact Sensitivity of Explosives with the Thermal Decomposition Reaction 炸药冲击敏感性与热分解反应的关系

IF 0.9 4区化学

Doklady Physical Chemistry Pub Date : 2023-01-30 DOI: 10.1134/S001250162270004X

G. M. Nazin, B. L. Korsunskii, A. I. Kazakov, A. V. Nabatova, N. G. Samoilenko

引用次数: 1

Neural Network Prediction of Interatomic Interaction in Multielement Substances and High-Entropy Alloys: A Review 多元素物质和高熵合金中原子相互作用的神经网络预测研究进展

IF 0.9 4区化学

Doklady Physical Chemistry Pub Date : 2022-11-02 DOI: 10.1134/S0012501622700026

A. A. Mirzoev, B. R. Gelchinski, A. A. Rempel

{"title":"Neural Network Prediction of Interatomic Interaction in Multielement Substances and High-Entropy Alloys: A Review","authors":"A. A. Mirzoev, B. R. Gelchinski,  A. A. Rempel","doi":"10.1134/S0012501622700026","DOIUrl":"10.1134/S0012501622700026","url":null,"abstract":"One of the most exciting tools that have entered the arsenal of modern science and technology in recent years is machine learning, which can efficiently solve problems of approximation of multidimensional functions. There is a rapid growth in the development and application of machine learning in physics and chemistry. This review is devoted to the possibilities of predicting interatomic interactions in multielement substances and high-entropy alloys using artificial intelligence based on neural networks and their active machine learning, which provides a comprehensive overview and analysis of recent research on this topic. The relevance of this direction is due to that the prediction of the structure and properties of materials by means of atomistic quantum mechanical modeling based on density functional theory (DFT) is difficult in many cases because of the rapid increase in computational costs with increasing size in accordance with the size of the object. Machine learning methods make it possible to reproduce real interparticle interaction potentials of the system using the available DFT calculations, and then, on their basis, to model the required properties by the molecular dynamics method on a multiply increased spatiotemporal scale. As a starting point, we introduce machine learning principles, algorithms, descriptors, and databases in materials science. The design of the potential energy surface and interatomic interaction potentials in solid solutions, high-entropy alloys, high-entropy metal compounds with carbon, nitrogen, and oxygen, as well as in bulk amorphous materials, is described.","PeriodicalId":532,"journal":{"name":"Doklady Physical Chemistry","volume":null,"pages":null},"PeriodicalIF":0.9,"publicationDate":"2022-11-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"4100168","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 2