Zobrazeno 1 - 10 of 157 pro vyhledávání: '"Qunchao, Fan"'
1
Akademický článek
Iron Carbonyl Complexes of [2.2.2]Hericene as a Rigid Tris(1,3-diene) Ligand
Autor: Jinfeng Luo, Haoyu Chen, Huidong Li, Yongxiang Zheng, Qunchao Fan, Robert Bruce King, Henry F. Schaefer
Publikováno v: Molecules, Vol 29, Iss 22, p 5337 (2024)
Hericene is an unusual hexaolefin consisting of three 1,3-diene units located on a rigid bicyclo [2.2.2]octane framework that restricts the geometrical relationships of metal atoms bonded to these olefinic units. In order to explore possible effects
Externí odkaz: https://doaj.org/article/e59c907e76b04bb9b16670657c620613
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2
Akademický článek
CuFe2O4/MoS2 Mixed-Dimensional Heterostructures with Improved Gas Sensing Response
Autor: Kenan Zhang, Changchun Ding, Yihong She, Zhen Wu, Changhui Zhao, Baojun Pan, Lijie Zhang, Wei Zhou, Qunchao Fan
Publikováno v: Nanoscale Research Letters, Vol 15, Iss 1, Pp 1-7 (2020)
Abstract Mixed-dimensional (2D + nD, n = 0, 1, and 3) heterostructures opened up a new avenue for fundamental physics studies and applied nanodevice designs. Herein, a novel type-II staggered band alignment CuFe2O4/MoS2 mixed-dimensional heterostruct
Externí odkaz: https://doaj.org/article/34ef7746d88f40799b5be758cab741ca
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3
Akademický článek
Theoretical prediction on the R-branch lines for the first overtone transitions in the ground electronic state of 12C16O
Autor: Zhixiang Fan, Chunrun Luo, Qunchao Fan, Haide Ma, Jia Fu, Jie Ma, Yonggen Xu, Huidong Li, Yi Zhang
Publikováno v: AIP Advances, Vol 10, Iss 3, Pp 035316-035316-10 (2020)
An analytical formula for the diatomic R-branch emission lines that was recently tested as a universal expression has been further modified based on the difference algebraic converging method. The tiny experimental line errors that may lead to amplif
Externí odkaz: https://doaj.org/article/eb4826303ce648318907441ad02efae1
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4
Akademický článek
Spectroscopy learning: A machine learning method for study diatomic vibrational spectra including dissociation behavior
Autor: Shanshan Long, Jia Fu, Jun Jian, Zhixiang Fan, Qunchao Fan, Feng Xie, Yi Zhang, Jie Ma
Publikováno v: MethodsX, Vol 7, Iss , Pp 101127- (2020)
Molecular spectroscopy plays an important role in the study of physical and chemical phenomena at the atomic level. However, it is difficult to acquire accurate vibrational spectra directly in theory and experiment, especially these vibrational level
Externí odkaz: https://doaj.org/article/86eaa337239d4dfc9ea976696eddff7a
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7
Achieving vibrational energies of diatomic systems with high quality by machine learning improved DFT method
Autor: Zhangzhang Yang, Zhitao Wan, Li Liu, Jia Fu, Qunchao Fan, Feng Xie, Yi Zhang, Jie Ma
Publikováno v: RSC advances. 12(55)
By systematically correcting the calculation errors through machine learning, the accuracy of the diatomic vibrational energy prediction based on typical DFT methods has been improved by order of magnitude.
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::75b9046e75a568277bc0a2a7b1b20da1
https://pubmed.ncbi.nlm.nih.gov/36545113
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9
Stability and electronic properties of hydrogenated C3B structure
Autor: Tong Liu, Dong Fang, Jie Ma, Qunchao Fan
Experimental and theoretical studies show that two-dimensional (2D) materials have great potential applications in the fields of optoelectronics, semiconductors and spintronic devices. Based on the First Principles, the stability, band structure, ele
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::538da65b786da631da1af50f580d0aba
https://doi.org/10.22541/au.166676405.55653817/v1
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