Electric-Field-Driven Ion Emission from the Free Surface of Room Temperature Ionic Liquids

doi:10.1021/acs.jpclett.0c03335

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	Electric-Field-Driven Ion Emission from the Free Surface of Room Temperature Ionic Liquids
	Zhang, Fei 4; Jiang XK(蒋玺恺)2,3; Chen, Gaofeng 2,3; He, Yadong 5; Hu, Guoqing 1; Qiao, Rui 5
刊名	JOURNAL OF PHYSICAL CHEMISTRY LETTERS
	2021-01-14
卷号	12 期号:1 页码:211-216
ISSN号	1948-7185
DOI	10.1021/acs.jpclett.0c03335
通讯作者	Jiang, Xikai(xikaij@imech.ac.cn)
英文摘要	Electric-field-driven ion emission from the free surface of a planar room-temperature ionic liquid (RTIL) film was studied by using molecular dynamics simulations. We calculated ion emission rate (j(e)) as a function of the electric field normal to the RTIL/vacuum surface (E-n) and found that the logarithm of j(e) over the charge density on the surface (sigma) is proportional to E-n(1/2), in agreement with classical ion evaporation theories. The composition of emitted ions includes monomers and dimers. It was found that the monomer has to move across two barriers before emission. The fraction of dimers was found to depend on the external field and ion-ion interactions. We further performed replica exchange molecular dynamics simulations and identified different metastable states of the emitting ion near the liquid film. Our results showed that E-n and molecular details of ion/surface determine the rate and composition of ion emission from RTIL/vacuum surfaces. Fundamental insights revealed in this study form the basis to improve ion evaporation theories and performance of electrospray applications ranging from space propulsion to nanomanufacturing.
分类号	一类
资助项目	CAS Key Research Program of Frontier Sciences[QYZDB-SSW-JSC036] ; CAS Strategic Priority Research Program[XDB22040403]
WOS关键词	MOLECULAR-DYNAMICS SIMULATIONS ; ELECTROSPRAY-IONIZATION ; EVAPORATION
WOS研究方向	Chemistry ; Science & Technology - Other Topics ; Materials Science ; Physics
语种	英语
WOS记录号	WOS:000611429800001
资助机构	CAS Key Research Program of Frontier Sciences ; CAS Strategic Priority Research Program
其他责任者	Jiang, Xikai
内容类型	期刊论文
源URL	[http://dspace.imech.ac.cn/handle/311007/86037]
专题	力学研究所_高温气体动力学国家重点实验室
作者单位	1.Zhejiang Univ, Dept Engn Mech, State Key Lab Fluid Power & Mechatron Syst, Hangzhou 310027, Zhejiang, Peoples R China 2.Univ Chinese Acad Sci, Sch Engn Sci, Beijing 100049, Peoples R China; 3.Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China; 4.NeoX Biotech, Beijing 102206, Peoples R China; 5.Virginia Tech, Dept Mech Engn, Blacksburg, VA 24061 USA;
推荐引用方式 GB/T 7714	Zhang, Fei,Jiang XK,Chen, Gaofeng,et al. Electric-Field-Driven Ion Emission from the Free Surface of Room Temperature Ionic Liquids[J]. JOURNAL OF PHYSICAL CHEMISTRY LETTERS,2021,12(1):211-216.
APA	Zhang, Fei,蒋玺恺,Chen, Gaofeng,He, Yadong,Hu, Guoqing,&Qiao, Rui.(2021).Electric-Field-Driven Ion Emission from the Free Surface of Room Temperature Ionic Liquids.JOURNAL OF PHYSICAL CHEMISTRY LETTERS,12(1),211-216.
MLA	Zhang, Fei,et al."Electric-Field-Driven Ion Emission from the Free Surface of Room Temperature Ionic Liquids".JOURNAL OF PHYSICAL CHEMISTRY LETTERS 12.1(2021):211-216.