title: Water bridge coordination on the metal-rich facets of Gd2O3nanoplates confers high T1relaxivity.
abstract: The realization of the nature of water coordination on the solid surfaces may provoke an essential understanding of T1relaxation enhancement, especially in nanoparticulate systems. We report herein that the T1relaxivity of Gd2O3nanoplates is highly dependent on water coordinating behaviors on different surfaces. Gd2O3nanoplates with metal-rich {100} facets showed an approximately 4-fold higher r1value compared to that with oxygen-terminated {111} facets. Density functional theory (DFT) calculations show that the enhanced T1relaxivity of Gd2O3{100} nanoplates may be ascribed to the high density of accessible Gd3+, fast exchange of water, and more importantly, multicenter (one-to-two) coordination for water molecules with magnetic centers on the metal-rich surface.
authors.affiliation: State Key Laboratory of Physical Chemistry of Solid Surfaces, The MOE Key Laboratory of Spectrochemical Analysis & Instrumentation, and The Key Laboratory for Chemical Biology of Fujian Province, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, P. R. China. jhgao@xmu.edu.cn and Laboratory of Molecular Imaging and Nanomedicine, National Institute of Biomedical Imaging and Bioengineering, National Institutes of Health, Bethesda, MD 20892, USA.
authors.forename: Zijian
authors.initials: Z
authors.lastname: Zhou
authors.affiliation: State Key Laboratory of Physical Chemistry of Solid Surfaces, The MOE Key Laboratory of Spectrochemical Analysis & Instrumentation, and The Key Laboratory for Chemical Biology of Fujian Province, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, P. R. China. jhgao@xmu.edu.cn.
authors.forename: Rong
authors.identifier: http://orcid.org/0000-0001-7286-2353
authors.initials: R
authors.lastname: Hu
authors.affiliation: State Key Laboratory of Physical Chemistry of Solid Surfaces, The MOE Key Laboratory of Spectrochemical Analysis & Instrumentation, and The Key Laboratory for Chemical Biology of Fujian Province, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, P. R. China. jhgao@xmu.edu.cn.
authors.forename: Lirong
authors.initials: L
authors.lastname: Wang
authors.affiliation: State Key Laboratory of Physical Chemistry of Solid Surfaces, The MOE Key Laboratory of Spectrochemical Analysis & Instrumentation, and The Key Laboratory for Chemical Biology of Fujian Province, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, P. R. China. jhgao@xmu.edu.cn.
authors.forename: Chengjie
authors.initials: C
authors.lastname: Sun
authors.affiliation: State Key Laboratory of Physical Chemistry of Solid Surfaces, The MOE Key Laboratory of Spectrochemical Analysis & Instrumentation, and The Key Laboratory for Chemical Biology of Fujian Province, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, P. R. China. jhgao@xmu.edu.cn.
authors.forename: Gang
authors.initials: G
authors.lastname: Fu
authors.affiliation: State Key Laboratory of Physical Chemistry of Solid Surfaces, The MOE Key Laboratory of Spectrochemical Analysis & Instrumentation, and The Key Laboratory for Chemical Biology of Fujian Province, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, P. R. China. jhgao@xmu.edu.cn.
authors.forename: Jinhao
authors.identifier: http://orcid.org/0000-0003-3215-7013
authors.initials: J
authors.lastname: Gao