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J-GLOBAL ID：201902238276969686   Reference number：19A2302129

Exploratory Direct Dynamics Simulations of ³O₂ Reaction with Graphene at High Temperatures

高温でのグラフェンとの3O_2反応の探索的直接動力学シミュレーション【JST・京大機械翻訳】

Author (6)： Hariharan Seenivasan (Department of Chemistry and Biochemistry, Texas Tech University, Texas, United States) ,  Majumder Moumita (Department of Chemistry and Biochemistry, Texas Tech University, Texas, United States) ,  Edel Ross (The James Franck Institute and Department of Chemistry, The University of Chicago, Illinois, United States) ,  Grabnic Tim (The James Franck Institute and Department of Chemistry, The University of Chicago, Illinois, United States) ,  Sibener S. J. (The James Franck Institute and Department of Chemistry, The University of Chicago, Illinois, United States) ,  Hase William L. (Department of Chemistry and Biochemistry, Texas Tech University, Texas, United States)
Material： Journal of Physical Chemistry C  (Journal of Physical Chemistry C. Energy Conversion and Storage, Optical and Electronic Devices, Interfaces, Nanomaterials, and Hard Matter)
Volume： 122  Issue： 51  Page： 29368-29379  Publication year： 2018 
JST Material Number： W1877A  ISSN： 1932-7447  CODEN： JPCCCK  Document type： Article
Article type： 原著論文  Country of issue： United States (USA)  Language： ENGLISH (EN)

Abstract/Point： Direct chemical dynamics simul...

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Thesaurus term： singlet ,  Graphite ,  oxidation ,  nucleation ,  triplet ,  reactivity ,  *graphene ,  collision energy ,  *Computer Simulation ,  *high temperature ,  vacancy ,  carbon dioxide ,  calculation ,  aromatic hydrocarbon ,  modeling ,  dissociative adsorption ,  *computer application ,  *utilization

JST classification (1)： Carbon and its compounds  (YB02060D)

Terms in the title (3)： グラフェン ,  探索 ,  動力学シミュレーション