Theoretical study of the geometries and decomposition energies of CO2 on Al12X: Doping effect of Al12X-Reference-Cited by-同舟云学术

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Theoretical study of the geometries and decomposition energies of CO2 on Al12X: Doping effect of Al12X

Published:2014-03 Issue: Volume:48 Page:9-17
ISSN:1093-3263
Container-title:Journal of Molecular Graphics and Modelling
language:en
Short-container-title:Journal of Molecular Graphics and Modelling

Author:

Zhao Jian-Ying,Zhao Feng-Qi,Xu Si-Yu,Ju Xue-Hai

Funder

Laboratory of Science and Technology on Combustion and Explosion

Innovation Funding from the Graduate School of NJUST

Publisher

Elsevier BV

Subject

Materials Chemistry,Computer Graphics and Computer-Aided Design,Physical and Theoretical Chemistry,Spectroscopy

Reference56 articles.

1. Propellant technologies: far-reaching benefits for aeronautical and space-vehicle propulsion;Palaszewski;J. Propul. Power,1998

2. Aluminum particles–air detonation at elevated pressures;Zhang;Shock Waves,2006

3. Ignition and combustion of aluminum particles in shocked H2O/O2/Ar and CO2/O2/Ar mixtures;Servaites;Combust. Flame,2001

4. Aluminum combustion in wet and dry CO2: consequences for surface reactions;Sarou-Kanian;Combust. Flame,2006

5. Metal–CO2 propulsion for mars missions: current status and opportunities;Shafirovich;J. Propul. Power,2008

Cited by 11 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Understanding the interactions between anticancer active molecules Cp2TiCl2 and Cp2VCl2 and E@Al12 (E = C, Si) clusters using density functional theory calculations;Inorganic Chemistry Communications;2024-06

2. Stability and Electronic Properties of Cu-Doped C@Al12: A DFT Outlook;Russian Journal of Physical Chemistry A;2023-12

3. Superalkalis for the Activation of Carbon Dioxide: A Review;Frontiers in Physics;2022-04-05

4. Light-Induced Charge Transfer from Transition-Metal-Doped Aluminum Clusters to Carbon Dioxide;The Journal of Physical Chemistry A;2021-06-30

5. On the Role of Alkali‐Metal‐Like Superatom Al 12 P in Reduction and Conversion of Carbon Dioxide;Chemistry – A European Journal;2020-12-03

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