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	Heteroaggregation behavior of graphene oxide on zr-based metal-organic frameworks in aqueous solutions: a combined experimental and theoretical study
	Li, Jie1,2; Wu, Qunyan3; Wang, Xiangxue1; Chai, Zhifang3,4; Shi, Weiqun3; Hou, Jing1; Hayat, Tasawar5; Alsaedi, Ahmed5; Wang, Xiangke1,4,5
刊名	Journal of materials chemistry a
	2017-10-14
卷号	5期号:38页码:20398-20406
ISSN号	2050-7488
DOI	10.1039/c7ta06462d
通讯作者	Shi, weiqun(shiwq@ihep.ac.cn) ; Wang, xiangke(xkwang@ncepu.edu.cn)
英文摘要	A series of zirconium-based metal-organic frameworks (zr-based mofs) (uio-66, uio-66-nh2, uio-66-oh, uio-66-(oh)(2) and uio-67) with different surface charge properties and geometric dimensions were tested to decrease the concentration of graphene oxide (go) nanosheets in aqueous solutions. based on the experimental results and density functional theory (dft) calculations, uio-67 showed the highest adsorption capacity of all zr-based mofs studied herein. the p-p interaction/stacking, hydrogen bonding and lewis acid-base interactions were the main cause for the removal of go by negatively charged uio-66-oh and uio-66-(oh)(2). electrostatic attractions governed the association between go and positively charged zr-based mofs (uio-66, uio-66-nh2 and uio-67) via heteroaggregation. all adsorption and desorption isotherms of go on uio-66, uio-66-nh2 or uio-67 followed the linear model, and the obvious intercept (27-51 mg g(-1)) between adsorption-desorption isotherms disclosed that the go adsorption over these mofs was irreversible. this irreversible phenomenon was associated with a type of specific sheet-particle configuration, in which the particles of zr-based mofs were wrapped by go nanosheets to form multilayered go-mof heteroaggregates with high geometric stability. the dft calculations showed that the most stable adsorption structures were the geometries with the para-site of the linked ligand. given the low-cost and simple preparation of zr-based mofs, it is clear that zr-based mofs could potentially act as coagulants for the efficient elimination of go from aqueous solutions. this experimental evidence provides valuable information for the understanding of the interaction between go and coagulants, and the potential fate, toxicity and migration of go under natural conditions in aquatic environments, as well as in soils and sediments.
WOS关键词	LAYERED DOUBLE HYDROXIDES ; AQUATIC ENVIRONMENT ; SURFACE-CHEMISTRY ; CARBON NANOTUBES ; ADSORPTION ; REMOVAL ; AGGREGATION ; WATER ; NANOMATERIALS ; NANOSHEETS
WOS研究方向	Chemistry ; Energy & Fuels ; Materials Science
WOS类目	Chemistry, Physical ; Energy & Fuels ; Materials Science, Multidisciplinary
语种	英语
出版者	ROYAL SOC CHEMISTRY
WOS记录号	WOS:000412781700034
内容类型	期刊论文
URI标识	http://www.corc.org.cn/handle/1471x/2177123
专题	高能物理研究所
通讯作者	Shi, Weiqun; Wang, Xiangke
作者单位	1.North China Elect Power Univ, Coll Environm Sci & Engn, Beijing 102206, Peoples R China 2.Anhui Agr Univ, Sch Resources & Environm, Hefei 230036, Anhui, Peoples R China 3.Chinese Acad Sci, Inst High Energy Phys, Key Lab Biomed Effects Nanomat & Nanosafety, Lab Nucl Energy Chem, Beijing 100049, Peoples R China 4.Soochow Univ, Sch Radiol & Interdisciplinary Sci, Collaborat Innovat Ctr Radiat Med Jiangsu Higher, Suzhou 215123, Peoples R China 5.King Abdulaziz Univ, Fac Sci, NAAM Res Grp, Jeddah 21589, Saudi Arabia
推荐引用方式 GB/T 7714	Li, Jie,Wu, Qunyan,Wang, Xiangxue,et al. Heteroaggregation behavior of graphene oxide on zr-based metal-organic frameworks in aqueous solutions: a combined experimental and theoretical study[J]. Journal of materials chemistry a,2017,5(38):20398-20406.
APA	Li, Jie.,Wu, Qunyan.,Wang, Xiangxue.,Chai, Zhifang.,Shi, Weiqun.,...&Wang, Xiangke.(2017).Heteroaggregation behavior of graphene oxide on zr-based metal-organic frameworks in aqueous solutions: a combined experimental and theoretical study.Journal of materials chemistry a,5(38),20398-20406.
MLA	Li, Jie,et al."Heteroaggregation behavior of graphene oxide on zr-based metal-organic frameworks in aqueous solutions: a combined experimental and theoretical study".Journal of materials chemistry a 5.38(2017):20398-20406.

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