文献类型：期刊文献

英文题名：Water-Mediated Spontaneously Dynamic Oxygen Migration on Graphene Oxide with Structural Adaptivity for Biomolecule Adsorption*

作者：Tu, Yusong[1,2];Zhao, Liang[1];Sun, Jiajia[1];Wu, Yuanyan[1];Zhou, Xiaojie[3];Chen, Liang[4];Lei, Xiaoling[5,6,7];Fang, Haiping[5,6,7];Shi, Guosheng[8]

机构：[1]Yangzhou Univ, Coll Phys Sci & Technol, Yangzhou 225009, Jiangsu, Peoples R China;[2]East China Normal Univ, Dept Optoelect, Key Lab Polar Mat & Devices, Minist Educ, Shanghai 200062, Peoples R China;[3]Chinese Acad Sci, Shanghai Adv Res Inst, Natl Facil Prot Sci Shanghai, Shanghai 201210, Peoples R China;[4]Zhejiang A&F Univ, Dept Opt Engn, Linan 311300, Peoples R China;[5]East China Univ Sci & Technol, Dept Phys, Shanghai 200237, Peoples R China;[6]Chinese Acad Sci, Shanghai Inst Appl Phys, Div Interfacial Water, Shanghai 201800, Peoples R China;[7]Chinese Acad Sci, Shanghai Inst Appl Phys, Key Lab Interfacial Phys & Technol, Shanghai 201800, Peoples R China;[8]Shanghai Univ, Shanghai Appl Radiat Inst, Shanghai 200444, Peoples R China

年份：2020

卷号：37

期号：6

外文期刊名：CHINESE PHYSICS LETTERS

收录：;EI(收录号：20220411500958);WOS:【SCI-EXPANDED(收录号:WOS:000544995200001)】；

基金：Supported by the National Natural Science Foundation of China (Grant Nos. 11675138, 11705160, 11605151, U1832150, U1932123 and 11974366), the National Science Fund for Outstanding Young Scholars (Grant No. 11722548), the Key Research Program of Chinese Academy of Sciences (Grant No. QYZDJ-SSW-SLH053), the Fundamental Research Funds for the Central Universities, the Special Program for Applied Research on Supercomputation of the NSFC-Guangdong Joint Fund (the second stage), Supercomputer Center of CAS, and the BL01B Beamline of NFPS at SSRF.

语种：英文

外文关键词：68; 37; -d; 68; 90; +g; 61; 48; Gh; 87; 90; +y

摘要：We theoretically and experimentally show that, with water being adsorbed, the graphene oxide (GO) is converted to a spontaneously dynamic covalent material under ambient conditions, where the dominated epoxy and hydroxyl groups are mediated by water molecules to spontaneously break/reform their C-O bonds to achieve dynamic oxygen migration. This dynamic material presents structural adaptivity for response to biomolecule adsorption. Both density functional theory calculations and ab initio molecular dynamics simulations demonstrate that this spontaneously dynamic characteristics is attributed to the adsorption of water molecules, which sharply reduces the barriers of these oxygen migration reactions on GO to the level less than or comparable to the hydrogen bonding energy in liquid water.