Bo Wang
Jilin University
18 Papers
129 Citations
Bo Wang is an academic researcher from Jilin University. The author has contributed to research in topics: Density functional theory & Molecular orbital. The author has an hindex of 9, co-authored 18 publications. Previous affiliations of Bo Wang include Electric Power University.
Chat about Author
Papers
Actinide-embedded gold superatom models: Electronic structure, spectroscopic properties, and applications in surface-enhanced Raman scattering
TL;DR: In this article, the electronic and spectroscopic properties of actinide elements encaged in a superatomic cluster were predicted and compared with that of the isoelectronic entities [Ac@Au14]− and [Pa@au14]+ using density functional theory, which indicated that these clusters all adopt a closedshell superatomic 18-electron configuration of the 1S21P61D10 Jellium state.
42
A strong charge-transfer effect in surface-enhanced Raman scattering induced by valence electrons of actinide elements
TL;DR: In this paper, a pyridine molecule was studied on the typical actinide embedded structure Ac@Au7 and on a similar structure of pure gold Au8, respectively, using the time-dependent density functional theory (TDDFT) method.
29
Chirality recognition in concerted proton transfer process for prismatic water clusters
TL;DR: In this article, the authors investigated the chiral conversion and interlayer recognition, via concerted intralayer proton transfer (CIPT) processes, of small prismatic water clusters, in the form of bilayer n−membered water rings (BnWRs).
24
Water film inside graphene nanosheets: electron transfer reversal between water and graphene via tight nano-confinement
Ruixia Song,Wei Feng,Camilo A. Jimenez-Cruz,Bo Wang,Wanrun Jiang,Zhigang Wang,Ruhong Zhou,Ruhong Zhou,Ruhong Zhou +8 more
TL;DR: In this paper, a detailed geometric and electronic structure characterization of a nano-confined water film within two parallel graphene sheets is provided, based on quantum dynamics simulations using the density functional tight binding (DFTB) method.
20