Size of Nanoscale Domains in Inhomogeneous Surfaces Determines Ice Nucleation

doi:10.1021/acs.jpcc.2c02647

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	Size of Nanoscale Domains in Inhomogeneous Surfaces Determines Ice Nucleation
	Zhang, Chuanbiao ; Wang, Yanting 2,3; Wang, Jianjun 1,4; Zhou, Xin 3
刊名	JOURNAL OF PHYSICAL CHEMISTRY C
	2022
卷号	126 期号:31 页码:13373-13380
关键词	GRAPHENE OXIDE HEXAGONAL ICE WATER SIMULATIONS CARBON INTERPLAY GROWTH IMPACT
ISSN号	1932-7447
DOI	10.1021/acs.jpcc.2c02647
英文摘要	The microscopic mechanism of heterogeneous ice nucleation on various material surfaces is essential to controlling the freezing of water for wide applications, but it remains unclear. We investigated the ice nucleation on the inhomogeneous surfaces composed of nanosized hydrophobic and hydrophilic patterns by molecular simulations and found that the ice nucleation preferred a single hydrophobic/hydrophilic pattern rather than crossing over the boundary of neighboring patterns because of the higher freeenergy barrier in the latter in comparison with that in the former. Thus, these nanosized patterns behave as effective active domains of ice nucleation only while the size of the patterns is large enough to hold the critical ice nucleus. We further simulated the graphene oxide surfaces which are modeled by an ideal graphene surface by randomly replacing some carbon atoms with oxygen atoms and verified the picture in which the active nucleation regions of graphene oxide surfaces (the pure carbon or oxygen regions) can obviously promote ice nucleation only while the size is sufficiently large. This study indicates the importance of the nanometer-size structure of material surfaces in regulating the heterogeneous ice nucleation.
学科主题	Chemistry ; Science & Technology - Other Topics ; Materials Science
语种	英语
内容类型	期刊论文
源URL	[http://ir.itp.ac.cn/handle/311006/27857]
专题	理论物理研究所_理论物理所1978-2010年知识产出
作者单位	1.Univ Chinese Acad Sci, Sch Phys Sci, Beijing 100049, Peoples R China 2.Heze Univ, Coll Phys & Elect Engn, Heze 274015, Peoples R China 3.Chinese Acad Sci, Inst Theoret Phys, CAS Key Lab Theoret Phys, Beijing 100190, Peoples R China 4.Chinese Acad Sci, Inst Chem, Key Lab Green Printing, Beijing Natl Lab Mol Sci, Beijing 100190, Peoples R China 5.Univ Chinese Acad Sci, Sch Future Technol, Beijing 100049, Peoples R China
推荐引用方式 GB/T 7714	Zhang, Chuanbiao,Wang, Yanting,Wang, Jianjun,et al. Size of Nanoscale Domains in Inhomogeneous Surfaces Determines Ice Nucleation[J]. JOURNAL OF PHYSICAL CHEMISTRY C,2022,126(31):13373-13380.
APA	Zhang, Chuanbiao,Wang, Yanting,Wang, Jianjun,&Zhou, Xin.(2022).Size of Nanoscale Domains in Inhomogeneous Surfaces Determines Ice Nucleation.JOURNAL OF PHYSICAL CHEMISTRY C,126(31),13373-13380.
MLA	Zhang, Chuanbiao,et al."Size of Nanoscale Domains in Inhomogeneous Surfaces Determines Ice Nucleation".JOURNAL OF PHYSICAL CHEMISTRY C 126.31(2022):13373-13380.