Si-Dian Li (Sidian Li)

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 46

Top Topics

Molecular Dynamics Simulations

Transition Metal

Top Venues

Physical chemistry chemical physics : PCCP

Journal of computational chemistry

This page only lists publications with an associated author ORCID identifier.

Publications

Haiming Wu, Yuhan Jia, Xiaoyun Zhao, Lijun Geng, Shiquan Lin, Si-Dian Li, Zhixun Luo
To What Extent Do Iodomethane and Bromomethane Undergo Analogous Reactions? The journal of physical chemistry. A (2024)
Bin-Bin Pei, Hongjuan Yang, Cai-Yue Gao, Yuan Man, Yonggang Yang, Si-Dian Li
Restriction on molecular fluxionality by substitution: A case study for the 1,10-dicyanobullvalene. Journal of computational chemistry 45 (24) (2024)
Bin-Bin Pei, Hongjuan Yang, Cai-Yue Gao, Yuan Man, Yonggang Yang, Si-Dian Li
Restriction on molecular fluxionality by substitution: A case study for the 1,10-dicyanobullvalene. Journal of computational chemistry (2024)
Haiming Wu, Yuhan Jia, Xiaoyun Zhao, Lijun Geng, Shiquan Lin, Si-Dian Li, Zhixun Luo
To What Extent Do Iodomethane and Bromomethane Undergo Analogous Reactions? The journal of physical chemistry. A 128 (7) (2024)
Qiang Chen, Wei-Jia Chen, Xin-Yao Wu, Teng-Teng Chen, Rui-Nan Yuan, Hai-Gang Lu, Dao-Fu Yuan, Si-Dian Li, Lai-Sheng Wang
Investigation of Pb-B Bonding in PbB 2 (BO) n - ( n = 0-2): Transformation from Aromatic PbB 2 - to Pb[B 2 (BO) 2 ] -/0 Complexes with BB Triple Bonds. Physical chemistry chemical physics : PCCP (2024)
Qiang Chen, Wei-Jia Chen, Xin-Yao Wu, Teng-Teng Chen, Rui-Nan Yuan, Hai-Gang Lu, Dao-Fu Yuan, Si-Dian Li, Lai-Sheng Wang
Investigation of Pb-B Bonding in PbB 2 (BO) n - ( n = 0-2): Transformation from Aromatic PbB 2 - to Pb[B 2 (BO) 2 ] -/0 Complexes with BB Triple Bonds. Physical chemistry chemical physics : PCCP 26 (6) (2024)
Qiao-Qiao Yan, XiaoYun Zhao, Ting Zhang, Si-Dian Li
Perfect Core-Shell Octahedral B@B 38 + , Be@B 38 , and Zn@B 38 with an Octa-Coordinate Center as Superatoms Following the Octet Rule. Chemphyschem : a European journal of chemical physics and physical chemistry 24 (9) (2023)
Lina Liu, Zhihong Wei, Qiang Chen, Chaoren Shen, Tonghao Shen, Xinxin Tian, Si-Dian Li
Benchmarking boron cluster calculations: Establishing reliable geometrical and energetic references for B n (n = 1-4). Journal of computational chemistry (2023)
Min Zhang, Rui-Nan Yuan, Yan-Bo Wu, Qiang Chen, Zhihong Wei, Si-Dian Li
[Cs©C 18 ] + and [Na©C 14 ] + : perfect planar alkaline-metal-centered polyynic cyclo[ n ]carbon complexes with record coordination numbers. RSC advances 13 (34) (2023)
Jia Liu, Minjing Zhang, Si-Dian Li, Yue-Wen Mu
Bifunctional diatomic site catalysts supported by β 12 -borophene for efficient oxygen evolution and reduction reactions. Physical chemistry chemical physics : PCCP (2023)
Mei-Zhen Ao, Fei Zhang, Yuan-Yuan Ma, Yue-Wen Mu, Si-Dian Li
Heptacoordinate transition-metal-decorated metallo-borospherenes and multiple-helix metallo-boronanotubes. Nanoscale (2023)
Mei-Zhen Ao, Yuan-Yuan Ma, Yue-Wen Mu, Si-Dian Li
Perfect cubic metallo-borospherenes TM 8 B 6 (TM = Ni, Pd, Pt) as superatoms following the 18-electron rule. Nanoscale advances 5 (23) (2023)
Bo Jin, Bin Huo, Caixia Yuan, Si-Dian Li, Yan-Bo Wu
[(OB) 2 -M©B 7 O 7 -BO] - (M = Mn, Tc, Re): Chemically Stable and Triply Aromatic Ballet Rotors. Inorganic chemistry (2023)
Qiao-Qiao Yan, XiaoYun Zhao, Ting Zhang, Si-Dian Li
Perfect Core-Shell Octahedral B@B 38 + , Be@B 38 , and Zn@B 38 with an Octa-Coordinate Center as Superatoms Following the Octet Rule. Chemphyschem : a European journal of chemical physics and physical chemistry (2023)
Mei-Zhen Ao, Fei Zhang, Yuan-Yuan Ma, Yue-Wen Mu, Si-Dian Li
Heptacoordinate transition-metal-decorated metallo-borospherenes and multiple-helix metallo-boronanotubes. Nanoscale 15 (5) (2023)
Wei-Jia Chen, Teng-Teng Chen, Qiang Chen, Hai-Gang Lu, Xiao-Yun Zhao, Yuan-Yuan Ma, Qiao-Qiao Yan, Rui-Nan Yuan, Si-Dian Li, Lai-Sheng Wang
Boron-lead multiple bonds in the PbB 2 O - and PbB 3 O 2 - clusters. Communications chemistry 5 (1) (2022)
Ying Xu, Xiaoyu Xuan, Tingfan Yang, Zhuhua Zhang, Si-Dian Li, Wanlin Guo
Correction to Quasi-Freestanding Bilayer Borophene on Ag(111). Nano letters 22 (12) (2022)
Qiao-Qiao Yan, Ting Zhang, Yuan-Yuan Ma, Qiang Chen, Yue-Wen Mu, Si-Dian Li
A bottom-up approach from medium-sized bilayer boron nanoclusters to bilayer borophene nanomaterials. Nanoscale 14 (31) (2022)
Ying Xu, Xiaoyu Xuan, Tingfan Yang, Zhuhua Zhang, Si-Dian Li, Wanlin Guo
Quasi-Freestanding Bilayer Borophene on Ag(111). Nano letters 22 (8) (2022)
Yue-Wen Mu, Bao-Tian Wang, Si-Dian Li, Feng Ding
A family of superconducting boron crystals made of stacked bilayer borophenes. Nanoscale 14 (27) (2022)
Bo Jin, Hai-Ru Li, Zhihong Wei, Miao Yan, Caixia Yuan, Yan-Bo Wu, Si-Dian Li
Prediction of heptagonal bipyramidal nonacoordination in highly viable [OB-M©B 7 O 7 -BO] - (M = Fe, Ru, Os) complexes. Communications chemistry 5 (1) (2022)
Wei-Jia Chen, Teng-Teng Chen, Qiang Chen, Hai-Gang Lu, Xiao-Yun Zhao, Yuan-Yuan Ma, Qiao-Qiao Yan, Rui-Nan Yuan, Si-Dian Li, Lai-Sheng Wang
Boron-lead multiple bonds in the PbB 2 O - and PbB 3 O 2 - clusters. Communications chemistry 5 (1) (2022)
Mei-Zhen Ao, Xiao-Qin Lu, Yue-Wen Mu, Wen-Yan Zan, Si-Dian Li
La@[La 5 &B 30 ] 0/-/2- : endohedral trihedral metallo-borospherenes with spherical aromaticity. Physical chemistry chemical physics : PCCP 24 (6) (2022)
Xiao-Qin Lu, Xiao-Ni Zhao, Yue-Wen Mu, Si-Dian Li
Lanthanide/actinide boride nanoclusters and nanomaterials based on boron frameworks consisting of conjoined B n rings ( n = 7-9). Physical chemistry chemical physics : PCCP 24 (35) (2022)
Bo Jin, Hai-Ru Li, Zhihong Wei, Miao Yan, Caixia Yuan, Yan-Bo Wu, Si-Dian Li
Prediction of heptagonal bipyramidal nonacoordination in highly viable [OB-M©B 7 O 7 -BO] - (M = Fe, Ru, Os) complexes. Communications chemistry 5 (1) (2022)
Xueqin Qin, Jia Liu, Yue-Wen Mu, Si-Dian Li
Compression-induced crimping of boron nanotubes from borophenes: a DFT study. Physical chemistry chemical physics : PCCP 24 (23) (2022)
Haojian Lin, Haodong Shi, Zhen Wang, Yue-Wen Mu, Si-Dian Li, Jijun Zhao, Jingwei Guo, Bing Yang, Zhong-Shuai Wu, Fei Liu
Scalable Production of Freestanding Few-Layer β12-Borophene Single Crystalline Sheets as Efficient Electrocatalysts for Lithium-Sulfur Batteries. ACS nano (2021)
Xiao-Qin Lu, Yuan Man, Vincent Ruß, Yonghong Xu, Yonggang Yang, Si-Dian Li
The unified quantum mechanical structure of tubular molecular rotors with multiple equivalent global minimum structures: the 18*C2h → D9d case of La-[B2@B18]-La. Physical chemistry chemical physics : PCCP 23 (35) (2021)
Yu Zhang, Xiao-Qin Lu, Miao Yan, Si-Dian Li
Perfect Spherical Tetrahedral Metallo-Borospherene Ta4B18 as a Superatom Following the 18-Electron Rule. ACS omega 6 (16) (2021)
Xiao-Qin Lu, Hai-Gang Lu, Si-Dian Li
Metal-centered monocyclic carbon wheel clusters with record coordination numbers in planar species. RSC advances 11 (44) (2021)
Wen-Juan Tian, Wei-Jia Chen, Miao Yan, Rui Li, Zhi-Hong Wei, Teng-Teng Chen, Qiang Chen, Hua-Jin Zhai, Si-Dian Li, Lai-Sheng Wang
Transition-metal-like bonding behaviors of a boron atom in a boron-cluster boronyl complex [(η7-B7)-B-BO]. Chemical science 12 (23) (2021)
Wei-Jia Chen, Yuan-Yuan Ma, Teng-Teng Chen, Mei-Zhen Ao, Dao-Fu Yuan, Qiang Chen, Xin-Xin Tian, Yue-Wen Mu, Si-Dian Li, Lai-Sheng Wang
B48-: a bilayer boron cluster. Nanoscale 13 (6) (2021)
Xiao-Qin Lu, Cai-Yue Gao, Zhihong Wei, Si-Dian Li
Cage-like La4B24 and Core-Shell La4B290/+/- : perfect spherically aromatic tetrahedral metallo-borospherenes. Journal of molecular modeling 27 (5) (2021)
Ling Pei, Miao Yan, Xiao-Yun Zhao, Yue-Wen Mu, Hai-Gang Lu, Yan-Bo Wu, Si-Dian Li
Sea-shell-like B 31 + and B 32 : two new axially chiral members of the borospherene family. RSC advances 10 (17) (2020)
Xiao-Yun Zhao, Miao Yan, Zhihong Wei, Si-Dian Li
Donor-acceptor duality of the transition-metal-like B 2 core in core-shell-like metallo-borospherenes La 3 &[B 2 @B 17 ] - and La 3 &[B 2 @B 18 ] . RSC advances 10 (56) (2020)
Xiao-Qin Lu, Mei-Zhen Ao, Xin-Xin Tian, Wen-Yan Zan, Yue-Wen Mu, Si-Dian Li
Perfect cubic La-doped boron clusters La 6 &[La@B 24 ] +/0 as the embryos of low-dimensional lanthanide boride nanomaterials. RSC advances 10 (21) (2020)
Yu Zhang, Xiao-Yun Zhao, Miao Yan, Si-Dian Li
From inverse sandwich Ta 2 B 7 + and Ta 2 B 8 to spherical trihedral Ta 3 B 12 - : prediction of the smallest metallo-borospherene. RSC advances 10 (49) (2020)
Miao Yan, Hai-Ru Li, Xin-Xin Tian, Yue-Wen Mu, Hai-Gang Lu, Si-Dian Li
Fluxional bonds in quasi-planar B 18 2 - and half-sandwich MB 18 - (M = K, Rb, and Cs). Journal of computational chemistry 40 (11) (2019)
Xin-Xin Tian, Xiaoyu Xuan, Meng Yu, Yue-Wen Mu, Hai-Gang Lu, Zhuhua Zhang, Si-Dian Li
Predicting two-dimensional semiconducting boron carbides. Nanoscale 11 (23) (2019)
Hai-Gang Lu, Qiang Chen, Xin-Xin Tian, Yue-Wen Mu, Hai-Gang Lu, Si-Dian Li
Predicting lanthanide boride inverse sandwich tubular molecular rotors with the smallest core-shell structure. Nanoscale 11 (44) (2019)
Yuan-Yuan Ma, Miao Yan, Hai-Ru Li, Yan-Bo Wu, Xin-Xin Tian, Hai-Gang Lu, Si-Dian Li
Probing the Fluxional Bonding Nature of Rapid Cope rearrangements in Bullvalene C10H10 and Its Analogs C8H8, C9H10, and C8BH9. Scientific reports 9 (1) (2019)
Hui Bai, Teng-Teng Chen, Qiang Chen, Xiao-Yun Zhao, Yang-Yang Zhang, Wei-Jia Chen, Wan-Lu Li, Ling Fung Cheung, Bing Bai, Joseph Cavanagh, Wei Huang, Si-Dian Li, Jun Li, Lai-Sheng Wang
Planar B41- and B42- clusters with double-hexagonal vacancies. Nanoscale 11 (48) (2019)
Yonggang Yang, Dongming Jia, Ying-Jin Wang, Hua-Jin Zhai, Yuan Man, Si-Dian Li
A universal mechanism of the planar boron rotors B11-, B13+, B15+, and B19-: inner wheels rotating in pseudo-rotating outer bearings. Nanoscale 9 (4) (2018)
Wen-Juan Tian, Xin-Xin Tian, Yue-Wen Mu, Hai-Gang Lu, Si-Dian Li
Double-ring tubular (B2O2)n clusters (n = 6-42) rolled up from the most stable BO double-chain ribbon in boron monoxides. Physical chemistry chemical physics : PCCP 19 (34) (2018)
Qiang Chen, Wen-Juan Tian, Lin-Yan Feng, Hai-Gang Lu, Yue-Wen Mu, Hua-Jin Zhai, Si-Dian Li, Lai-Sheng Wang
Planar B38- and B37- clusters with a double-hexagonal vacancy: molecular motifs for borophenes. Nanoscale 9 (13) (2018)
Miao Yan, Hai-Ru Li, Xiao-Yun Zhao, Xiao-Qin Lu, Yue-Wen Mu, Hai-Gang Lu, Si-Dian Li
Fluxional Bonds in Planar B19 - , Tubular Ta@B20 - , and Cage-Like B39. Journal of computational chemistry 40 (9) (2018)