Atomistic and infrared study of CO-water amorphous ice onto olivine dust grain

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• 作者：Elizabeth Escamilla-Roa^a ; ^b ; ^{e.roa@csic.es} ; Fernando Moreno^a ; J. Juan Ló ; pez-Moreno^a ; C. Ignacio Sainz-Dí ; az^b
• 关键词：DFT ; Olivine ; Forsterite ; CO adsorption ; Dust grains ; Interstellar grains ; Amorphous ice ; Solid-gas interphase ; Infrared frequencies
• 刊名：Planetary and Space Science
• 出版年：2017
• 出版时间：January 2017
• 年：2017
• 卷：135
• 期：Complete
• 页码：17-26
• 全文大小：1320 K
• 卷排序：135

文摘

DFT (Density Functional Theory), Quantum Mechanical Calculations. Dust and interstellar grains, olivine, forsterite. Amorphous ice, solid-gas interphase. Adsorption process (physisorption and chemisorption), CO and water molecules adsorbed, infrared frequencies. Astrophysics, Astrochemistry and Cosmochemistry