南方科技大学知识苑(SUSTech KC): Atomic Insights into the Relationship between Molecular Structure and Dispersion Performance of Phenyl Polymer on Graphene Oxide

题名	Atomic Insights into the Relationship between Molecular Structure and Dispersion Performance of Phenyl Polymer on Graphene Oxide
作者	Xin，Zhaorui 1; Zhang，Yue 1; Hou，Dongshuai 1; Sun，Huiwen 1; Ding，Zhiheng 1; Wang，Pan 1; Wang，Muhan 1; Wang，Xinpeng 1; Xu，Qingqing2 ; Guan，Jing 3; Yang，Jiayi 4; Liu，Yingchun 4; Zhang，Liran 4,5
通讯作者	Zhang，Liran
发表日期	2024-01-09
DOI	10.1021/acs.langmuir.3c02648
发表期刊	Langmuir 影响因子和分区
ISSN	0743-7463
EISSN	1520-5827
卷号	40 期号:1页码:413-425
摘要	The adsorption of organic polymers onto the surface of graphene oxide is known to improve its dispersibility in cement-based materials. However, the mechanism of this improvement at the atomic level is not yet fully understood. In this study, we employ a combination of DFT static calculation and umbrella sampling to explore the reactivity of polymers and investigate the effects of varying amounts of phenyl groups on their adsorption capacity on the surface of graphene oxide. Quantitative analysis is utilized to study the structural reconstruction and charge transfer caused by polymers from multiple perspectives. The interfacial reaction between the polymer and graphene oxide surface is further clarified, indicating that the adsorption process is promoted by hydrogen bond interactions and π-π stacking effects. This study sheds light on the adsorption mechanism of polymer-graphene oxide systems and has important implications for the design of more effective graphene oxide dispersants at the atomic level.
相关链接	[Scopus记录]
收录类别	SCI ; EI
语种	英语
学校署名	其他
ESI学科分类	CHEMISTRY
Scopus记录号	2-s2.0-85181567488
来源库	Scopus
引用统计
成果类型	期刊论文
条目标识符	http://sustech.caswiz.com/handle/2SGJ60CL/701608
专题	工学院_海洋科学与工程系
作者单位	1.Department of Civil Engineering,Qingdao University of Technology,Qingdao,266033,China 2.Department of Ocean Science and Engineering,Southern University of Science and Technology,Shenzhen,518055,China 3.School of Environmental and Municipal Engineering,Qingdao University of Technology,Qingdao,266033,China 4.College of Materials Design and Engineering,Beijing Institute of Fashion and Technology,Beijing,100029,China 5.Department of Chemical Engineering,China University of Mining & Technology,Beijing,100083,China
推荐引用方式 GB/T 7714	Xin，Zhaorui,Zhang，Yue,Hou，Dongshuai,et al. Atomic Insights into the Relationship between Molecular Structure and Dispersion Performance of Phenyl Polymer on Graphene Oxide[J]. Langmuir,2024,40(1):413-425.
APA	Xin，Zhaorui.,Zhang，Yue.,Hou，Dongshuai.,Sun，Huiwen.,Ding，Zhiheng.,...&Zhang，Liran.(2024).Atomic Insights into the Relationship between Molecular Structure and Dispersion Performance of Phenyl Polymer on Graphene Oxide.Langmuir,40(1),413-425.
MLA	Xin，Zhaorui,et al."Atomic Insights into the Relationship between Molecular Structure and Dispersion Performance of Phenyl Polymer on Graphene Oxide".Langmuir 40.1(2024):413-425.