Jiannian Yao

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Gold-substrate interaction is essential in gold-catalyzed organic transformations. This study uses high-level coupled cluster calculations with core-valence correlation and complete basis set (CBS) limit extrapolation as a reference, for assessing the performance of popular density functional theory (DFT) approximations for a variety of Au(I)/Au(III)(More)
The synthesis of high-quality In2Se3 nanowire arrays via thermal evaporation method and the photoconductive characteristics of In2Se3 individual nanowires are first investigated. The electrical characterization of a single In2Se3 nanowire verifies an intrinsic n-type semiconductor behavior. These single-crystalline In2Se3 nanowires are then assembled in(More)
In the last 10 years, nanomaterials based on small organic molecules have attracted increasing attention. Such materials have unique optical and electronic properties, which could lead to new applications in nanoscale devices. Zero-dimensional (0D) organic nanoparticles with amorphous structures have been widely studied; however, the systematic(More)
To improve the accuracy of local coupled cluster (LCC) methods in computing activation energies, we propose herein a new computational scheme. Its applications to various types of late-transition-metal-catalyzed reactions involving Au, Pt, and Ir indicate that the new corrective approach for LCC methods can downsize the mean unsigned deviation and maximum(More)
The aggregates of 2-(2'-hydroxyphenyl)benzoxazole (HBO), a typical molecule exhibiting excited-state intramolecular proton transfer (ESIPT), were prepared and the photophysical properties of the aqueous dispersion of aggregates were investigated. It is found that the aggregates and the solvated enols coexist in the aqueous dispersion system. Furthermore,(More)
The controlled synthesis of two novel h-WO3 hierarchical structures made of nanorods/nanowires has been successfully realized in a large scale via a simple hydrothermal method. It is demonstrated that the morphology of the final products is significantly influenced by adding different sulfates. The urchinlike and ribbonlike structures of WO3 can be(More)
Two ruthenium atoms are covalently connected to the para positions of a phenyl ring in 1,2,4,5-tetra(2-pyridyl)benzene (tpb) to form a linear Ru-tpb-Ru arrangement. This unique structure leads to appealing electronic properties for the biscyclometalated complex [(tpy)Ru(tpb)Ru(tpy)](2+), where tpy is 2,2';6',2″-terpyridine. It could be stepwise oxidized at(More)
Anodic aluminum oxide (AAO) templates were employed to filtrate and assemble Au nanoparticles by the pressure difference method. It was found that the colloidal Au nanoparticles can be uniformly arranged as nanonet assembly on the AAO surface. The net-assembled Au nanoparticles are clean and closely packed with nanochains. Taking fullerene C60/C70 as probe(More)
Polyoxometalates (POMs) show promising biological activities, but the mechanism of these potential therapeutic effects remains to be elucidated at a molecular level. As a step in this direction, the interaction between the Eu-containing decatungstate [EuW(10)O(36)](9-) and human serum albumin (HSA) has been studied by several techniques.(More)
Nd3+-sensitized quenching-shield sandwich-structured upconversion nanoparticles are reported, which exhibit highly efficient upconversion photoluminescence under excitation by an 800 nm continuous-wave laser. The transition-layer structure is essential to bridge energy transfer from the sensitizer to the activator and simultaneously block energy(More)