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  5. (C2F)n and C4F under pressure:a DFT study

(C2F)n and C4F under pressure:a DFT study

来源 :第26届国际高压科学技术大会、第8届亚洲高压科技学术会议暨第19届中国高压科学技术会议(The 26th Interna | 被引量 : 0次 | 上传用户：gsqj123465
【摘 要】
：
We present the results of-a study,performed within the ab initio framework of the density functional theory(DFT)and taking into account van der Waals corrections to the total energy,of the high pressu
【作 者】
：
Silvana Radescu Vittoria Pischedda Marc Dubois Nicolas Batisse Felix Balima Chiara Cavallari 
【机 构】
：
Departamento de Fisica and IMN,Universidad de La Laguna,La Laguna(Tenerife),38206,Spain
【出 处】
：
第26届国际高压科学技术大会、第8届亚洲高压科技学术会议暨第19届中国高压科学技术会议(The 26th Interna
【发表日期】
：
2017年10期
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　　We present the results of-a study,performed within the ab initio framework of the density functional theory(DFT)and taking into account van der Waals corrections to the total energy,of the high pressure behaviour of various structural types of the fluorinated carbon compounds poly(dicarbon monofluoride)(C2F)n and graphite-fluoride C4F.
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