supported by the National Natural Science Foundation of China (21703104, 21673117, 91956109);Jiangsu Provincial Foundation for Specially-Appointed Professor, Jiangsu Science and Technology Plan (BK20211258);Fellowship of China Postdoctoral Science Foundation (2019M661810);Nanjing Tech University (39837102, 39837131, 39837140);SICAM Fellowship from Jiangsu National Synergetic Innovation Centre for Advanced Materials。
Discovering new methods and principles in the inequivalent growth of equivalent facets is of great significance for going beyond symmetrical nanocrystals and for out-of-box exploration. In this work, we demonstrate th...
supported by the National Natural Science Foundation of China (32088101, 21872145 and 22172167);the Original Innovation Project of CAS (ZDBS-LY-SLH032);Chinese National Innovation Foundation (18-163-14-ZT-002-001-02);the grant from DICP (DICP I202007)。
Metal nanoclusters are promising nanomaterials with unique properties, but only a few ones with specific numbers of metal atoms can be obtained and studied up to now. In this study, we establish a new paradigm of in-s...
supported by the National Key R&D Program of China (2017YFA0303500);the National Natural Science Foundation of China (91645202, 21722306, 21573203);Anhui Initiative in Quantum Information Technologies;partially supported by Fundamental Research Funds for the Central Universities (WK2060190082, WK2340000078)
Dissociative chemisorption of methane on a nickel surface is a prototypical system for studying mode-specific chemistry in gassurface reactions.We recently developed a fifteen-dimensional potential energy surface for ...
financially supported by National Natural Science Foundation of China(21173212);the Key Research Program of the Chinese Academy of Sciences
The adsorption and dissociation of CH3OH on TiO2 (110) were studied using density functional theory methods. Our results suggest that CH3OH molecules can adsorb up to 3/4 ML (1 ML=5.2× 10^14 molecules/cm2) covera...
Chiral recognition of phenylalanine(Phe) was achieved in the gas phase by electrospray ionization Q-TOF tandem mass spectrometry.In this method,two central ions,i.e.proton and divalent copper,were used and chiral crow...
Supported by the National Natural Science Foundation of China (Grant No. 20772028);the Natural Science Foundation of Hunan Province (Grant No. 06JJ2002);Key Laboratory of Theoretical Chemistry and Molecular Simulation of Ministry of Education, Hunan University of Science and Technology
The question "why are the variation trends of R-X bond dissociation energy different?" is answered. The R-X bond dissociation energy (BDE) may be influenced by three main factors: the C-X intrinsic bond energy, the 1,...
Atomic force microscopy is employed to study the adsorption behavior of CTAB to mica surfaces. Results show that conformational transitions from globular micelles→cylindrical micelles→flat films are observed in the ...
This work was supported by the National Key Basic Research Special Funding Project(Grant No.G1999075301);the National Natural Science Foundation of China(Grant No.20273072);the Knowledge Innovation Program of the Chinese Academy of Sciences(Grant No.K2002F2).
Dynamics of excited m-dichlorobenzene is investigated in real time by femtosecond pump-probe method, combined with time-of-flight mass spectrometric detection in a supersonic molecular beam. The yields of the parent i...
The authors would like to thank professor Fang D. C. for his helpful discussion. This work was supported by the National Natural Science Foundation of China (Grant No. 29713007).
The multi-bond dissociation dynamics of oxalyl chloride ((ClCO)2) is investigated by ab initio calculation. Dissociation of C-Cl bond of oxalyl chloride in the ground state is of barrierless. After the absorption of a...
This work was supported by the National Natural Science Foundation of China(Grant Nos.20171015,20171016);Science Foundation for Excellent Youths of Heilongjiang University(2002); and the Natural Science Foundation of Heilongjiang Province(Grant No.E0
Fifteen isomers of [Si,N,C,O]2+ system are obtained at UB3LYP/6-311G(d) and UCCSD(T)/6-311+G(2df) (single-point) levels. The analyses are made for predicting the structures of optimized isomers, while ionic fragments ...