王银锋｜井冈山大学｜学者主页

2026

Interior-to-Exterior Transition of an Alkaline Earth Metal in B36 Nanocage: Excellent Full-infrared Single-Pole Triple-Throw (SP3T) NLO Molecular Switchable Effect–Theoretical Insight

Hao Chen, Zhi-Xuan Wang, Jin-Jin Wei, Rui-Wen Liu, Feng Xu, Jiangen Huang, Jin-Hua Cai, Hongliang Xu, Yinfeng Wang

Journal of Inorganic and Organometallic Polymers and Materials

DOI

2026

Alkali and alkaline-earth metal hybrid doping enhances NLO response: from a weak alkaline-earthide of (Be δ − @C 50 N 5 H 5 ) ( δ ′− δ )− ‒M δ ′+ to dual-alkali-metal salts of (Mg δ + @C 50 N 5 H 5 ) ( δ + δ′ ) − –M δ' + and (Ca 2+ @C 50 N 5 H 5 ) (2+ δ )− –M δ +

Feng Xu, Zhi-Xuan Wang, Rui-Wen Liu, Hao Chen, Jin-Jin Wei, Zhijun Wang, Wen Zhang, Hong‐Liang Xu, Yinfeng Wang

RSC Advances

DOI

2025

5,10,15,20-四(4-甲酸甲酯苯基)卟啉锌配合物的晶体结构、光谱表征、Hirshfeld表面分析及理论计算研究

王大为，王奕栋，匡仁云，易绣光，王银锋，蔡金华

《江西化工》

DOI

2025

Alkali Metal-adsorbed Graphyne and Graphdiyne (M@GY, M&GDY, M=Li or Na) as high-performance SP3T or 3P3T Near- and Mid-Far-infrared NLO molecular switches: A theoretical study

Wei Jin, Xuexia Liu, Wen Zhang, Yang Kai, Zhijun Wang, Zhi-Jun Wang, Zhi‐Ru Li, Yinfeng Wang

Surfaces and Interfaces

DOI

2025

Theoretical insights into double-headed superalkalide ion pairs, K δ − [AE + @HMHC]K δ − (AE = Ca and Sr), as stable and high-performance single-pole double-throw mid-far-infrared NLO molecular switches

Jia Li, Xuexia Liu, Yin Lin, Xin-Min Deng, Dong-Xia Zuo, Zhijun Wang, Zhi‐Ru Li, Yinfeng Wang

Journal of Materials Chemistry C

DOI

2024

Superalkali-alkaline earthide ion pairs of δ + (AM-HMHC)-AM′ δ − (AM = Li, Na and K; AM′ = Be, Mg and Ca) possessing large NLO responses and excellent electronic stabilities and alkalide characteristics: a DFT study

Jian-Gen Huang, Yinfeng Wang, Kai Yang, Wen Zhang, Zhijun Wang, Xuexia Liu, Zhi‐Ru Li

Physical Chemistry Chemical Physics

DOI

2024

Quantum Chemical Approaches for Manipulation and Evaluation of Intracage Microelectric Field Strength of Molecular Containers in Y@C64 and Y@C64X4 (X = Cl, F, and H, Y = NH4Cl, H3O–Cl, and 2H2O)

Jian-Gen Huang, Xuexia Liu, Jia Li, Zhijun Wang, Zhi‐Ru Li, Yinfeng Wang

The Journal of Physical Chemistry A

DOI

2023

Torch-like high-performance NLO and electrochromic bifunctional molecular switch exhibiting superalkalide and superalkali metal salt characteristics

Jia Li, Yinfeng Wang, Jiangen Huang, Kai Yang, Kai Yang, Xuexia Liu, Zhi‐Ru Li

Journal of Molecular Structure

DOI

2023

Alkaline earth metal Atom-Doped Aza-Single-Strand pyridine Helix M@SP-Helix (M = Be, Mg, and Ca) as high-performance candidates for Single-Molecular redox SPDT NLO molecular switches

Wenhao Xu, Jie-Ji Lv, Liang Hua, Yinfeng Wang, Zhijun Wang, Xuexia Liu, Jia Li, Jia Li, Jian-Gen Huang, Zhi‐Ru Li

Journal of Photochemistry and Photobiology A Chemistry

DOI

2023

OEEF-Driven Intramolecular Self-Redox of Superalkali Rb3BeB6Be′Rb′3: A High-Performance Candidate for NLO Molecular Switch

Jia-Mei Zeng, Qin Liu, Jing-Yi Zhao, Rui Deng, Yinfeng Wang, Jian-Gen Huang, Zhi‐Ru Li

ACS Omega

DOI

2022

Theoretical insights into single-pole quadruple-throw (SP4T) inorganic nonlinear optics molecular switch of Na(HCN) 3 Na: from superalkali to superalkalides

Zhijun Wang, Yinfeng Wang, Jia-Mei Zeng, Wen Zhang, Xuexia Liu, Jia Li, Zhi‐Ru Li

Journal of Materials Chemistry C

DOI

2022

Can a molecular switch exist in both superalkali electride and superalkalide forms?

Xiu‐Guang Yi, Yinfeng Wang, Huarong Zhang, Jinhua Cai, Xuexia Liu, Jia Li, Zhijun Wang, Fu‐Quan Bai, Zhi‐Ru Li

Physical Chemistry Chemical Physics

DOI

2021

Superalkali-alkalide ion pairs δ+(M-HMHC)-M’ δ - (M, M’ = Li, Na and K) serving as high-performance NLO molecular materials

Yinfeng Wang, Jian-Gen Huang, Zhijun Wang, Xuexia Liu, Jia Li, Zhi‐Ru Li

Journal of Molecular Liquids

DOI

2021

Conversions of localized excess electrons and spin states under external electric field: Inter‐cage electron‐transfer isomer ( C20F20 )3& K2

Jiamin Tang, Yinfeng Wang, Tian Qin, Xuexia Liu, Zhijun Wang, Jian-Gen Huang, Hua‐Rong Zhang, Kai Yang, Zhi‐Ru Li

International Journal of Quantum Chemistry

DOI

2021

From an electride-like super alkali earth atom to a superalkalide or superalkali electride: M(HF) 3 M (M = Na or Li) as field-induced excellent inorganic NLO molecular switches

Yinfeng Wang, Jiajun Wang, Jia Li, Xuexia Liu, Zhijun Wang, Jian-Gen Huang, Zhi‐Ru Li

Journal of Materials Chemistry C

DOI

2020

Switching from an electride-like molecule to the molecular electride K-F 6 C 6 H 6 driven by an oriented external electric field

Yinfeng Wang, Tian Qin, Jia-Jun Wang, Xuexia Liu, Zhijun Wang, Jian-Gen Huang, Jia Li, Zhi‐Ru Li

Physical Chemistry Chemical Physics

DOI

2020

Electric field induced intra-molecular self-redox: superalkali Li 3 N 3 Mg as a candidate for NLO molecular switches

Xiu‐Guang Yi, Yinfeng Wang, Tian Qin, Xuexia Liu, Shu-Ling Jiang, Jian-Gen Huang, Kai Yang, Jia Li, Zhi‐Ru Li

Physical Chemistry Chemical Physics

DOI

2020

Novel inorganic aromatic mixed-valent superalkali electride CaN 3 Ca: an alkaline-earth-based high-sensitivity multi-state nonlinear optical molecular switch

Yinfeng Wang, Tian Qin, Jiamin Tang, Yan-Jiao Liu, Miao Xie, Jia Li, Jian-Gen Huang, Zhi‐Ru Li

Physical Chemistry Chemical Physics

DOI

2019

Hopping of Li@AR (AR = Benzene and Naphthalene) between Electride and Lithium Salt Configurations Brings Considerably Different First Hyperpolarizabilities: Candidate for High-Performance Nonlinear Optical Molecular Switches

Yinfeng Wang, Tian Qin, Jianggen Huang, Kai Yang, Zhi‐Ru Li

The Journal of Physical Chemistry C

DOI

2019

Long-Range Charge Transfer Driven by External Electric Field in Alkalides M–LCaL–M (M = Li or Na, L = All-cis 1,2,3,4,5,6-Hexafluorocyclohexane): Facially Polarized Janus-Type Second Order Nonlinear Molecular Optical Switches

Yinfeng Wang, Jia Li, Jian-Gen Huang, Tian Qin, Yun-Meng Liu, Fan Zhong, Wen Zhang, Zhi‐Ru Li

The Journal of Physical Chemistry C

DOI

2019

Theoretical insights into the effect of heterocycles of the molecular framework on photochromic magnetic properties of diarylethene compounds

Jian-Gen Huang, Yinfeng Wang, Ling Xu, Yun-Meng Liu, Guang-Pei Zhou, Jia Li, Zhi‐Ru Li

Journal of Physical Organic Chemistry

DOI

2018

Theoretical insights into the magneto-structural correlation: Comparison between series of copper(I) and silver(I) metal complexes with nitronyl nitroxide radicals

Jian-Gen Huang, Yinfeng Wang, Guang-Pei Zhou, Jia Li, Zhi‐Ru Li

Computational and Theoretical Chemistry

DOI

2017

碱土金属类无机碱金属化合物的静态第一超极化率的理论研究（英文）

吕翔，王科，张伟明，王银锋，黄俭根

《井冈山大学学报(自然科学版)》

2016

莫比乌斯型环多并苯(Mbius[n]cyclacenes,n=7～10)的开壳单态双自由基特性研究

王银锋，李佳，黄俭根

《井冈山大学学报(自然科学版)》

2016

Theoretical insight into the open‐shell singlet diradical character of single molecular solvated dielectron e2@CnFn (n = 20, 28, 36, 50, 60, and 80)

Yinfeng Wang, Jian-Gen Huang, Zhi‐Ru Li

Journal of Physical Organic Chemistry

DOI

2015

Multidecker Sandwich Cluster VnBenn+1 (n = 1, 2, 3, 4) as a Polarizable Bridge for Designing 1D Second-Order NLO Chromophore: Metal−π Sandwich Multilayer Structure as a Particular Charge-Transfer Axis for Constructing Multidimensional NLO Molecules

Shu-Jian Wang, Yinfeng Wang, Chenxin Cai

The Journal of Physical Chemistry C

DOI

2015

Multidecker Sandwich Complexes VnBenn+1 (n = 1, 2, 3) as Stronger Electron Donor Relative to Ferrocene for Designing High-Performance Organometallic Second-Order NLO Chromophores: Evident Layer Effect on the First Hyperpolarizability and Two-Dimensional NLO Character

Shu-Jian Wang, Yinfeng Wang, Chenxin Cai

The Journal of Physical Chemistry C

DOI

2014

双电子体系（H2O）122-的结构及额外电子定位研究

王银锋，李波，李佳，黄俭根，周光培，张定娃

《井冈山大学学报(自然科学版)》

2014

篮柄的增长对Mbius及Hückel分子篮的非线性光学响应的影响

王钦，王银锋，周新文

《三峡大学学报(自然科学版)》

2014

Effect of alkaline earth metal atom on the large static first hyperpolarizabilities of alkaline earth-based alkalides Be(NH3)nM (M=Be and Ca) in comparison with alkalides Li(NH3)nNa (n=1–3)

Yinfeng Wang, Bo Li, Jian-Gen Huang, Jia Li, Zhi‐Ru Li

Computational and Theoretical Chemistry

DOI

2013

锂掺杂胺化物中氮原子配位数效应对结构和非线性光学性质的影响

周光培，王银锋，张定娃，黄俭根，李志儒

《中国科学:化学》

2013

Theoretical investigation of the structures, stabilities, and NLO responses of calcium-doped pyridazine: Alkaline-earth-based alkaline salt electrides

Yinfeng Wang, Jian-Gen Huang, Jia Li, Guang-Pei Zhou

Journal of Molecular Graphics and Modelling

DOI

2013

Coordination number effect of nitrogen atom on the structures and NLO responses: alkaline earth-based alkalides

Yinfeng Wang, Jian-Gen Huang, Guang-Pei Zhou

Structural Chemistry

DOI

2013

Structures and nonlinear optical properties of the endohedral metallofullerene-superhalogen compounds Li@C60–BX4 (X = F, Cl, Br)

Shu-Jian Wang, Ying Li, Yinfeng Wang, Di Wu, Zhi‐Ru Li

Physical Chemistry Chemical Physics

DOI

2012

非对称笼间电子迁移异构体与电场诱导电子迁移

王银锋，黄俭根，周光培，李志儒

《物理化学学报》

2012

全氟化的钾外掺杂富勒烯K…C24F24的结构与额外电子特性研究

王银锋，黄俭根，周光培，张定娃

《井冈山大学学报(自然科学版)》

2012

Quantum Mechanical Design and Structures of Hexanuclear Sandwich Complex and Its Multidecker Sandwich Clusters (Li6)n([18]Annulene)n+1 (n = 1–3)

Shu-Jian Wang, Ying Li, Di Wu, Yinfeng Wang, Zhi‐Ru Li

The Journal of Physical Chemistry A

DOI

2012

Intercage Electron Transfer Driven by Electric Field in Robin–Day‐Type Molecules

Yinfeng Wang, Ying Li, Zhong‐Jun Zhou, Zhi‐Ru Li, Di Wu, Jian-Gen Huang, Feng Long Gu

ChemPhysChem

DOI

2012

Evolution of excess electron binding motifs under both internal‐push (from exo C–F bonds) and external‐push (from endo C–F bonds) electron effects in endohedral metallofullerenes with endo C–F bonds

Yinfeng Wang, Qing Wang, Zhuo Li, Zhi‐Ru Li, Jian-Gen Huang, Jiu‐Hui Liu, Guang-Pei Zhou

Journal of Physical Organic Chemistry

DOI

2011

金属-金属氧化物-非金属型超碱金属夹心化合物Li3OMC5H5（M=Be,Mg,和Ca）的非线性光学性质研究

王银锋，黄俭根，周光培

《井冈山大学学报(自然科学版)》

2011

Evolution of lone pair of excess electrons inside molecular cages with the deformation of the cage in e2@C60F60systems

Yinfeng Wang, Wei Chen, Guangtao Yu, Zhi‐Ru Li, Di Wu, Chia‐Chung Sun

Journal of Computational Chemistry

DOI

2010

How Does a Double-Cage Single Molecule Confine an Excess Electron? Unusual Intercage Excess Electron Transfer Transition

Yinfeng Wang, Zhi‐Ru Li, Di Wu, Ying Li, Chia‐Chung Sun, Feng Long Gu

The Journal of Physical Chemistry A

DOI

2009

两个四硫富瓦烯分子正离子自由基TTF·+之间的共价吸引作用

王芳芳，王义，王炳强，王银锋，马方，李志儒

《中国科学:化学》

精选作品

期刊论文

Interior-to-Exterior Transition of an Alkaline Earth Metal in B36 Nanocage: Excellent Full-infrared Single-Pole Triple-Throw (SP3T) NLO Molecular Switchable Effect–Theoretical Insight

Alkali and alkaline-earth metal hybrid doping enhances NLO response: from a weak alkaline-earthide of (Be δ − @C 50 N 5 H 5 ) ( δ ′− δ )− ‒M δ ′+ to dual-alkali-metal salts of (Mg δ + @C 50 N 5 H 5 ) ( δ + δ′ ) − –M δ' + and (Ca 2+ @C 50 N 5 H 5 ) (2+ δ )− –M δ +

5,10,15,20-四(4-甲酸甲酯苯基)卟啉锌配合物的晶体结构、光谱表征、Hirshfeld表面分析及理论计算研究

Alkali Metal-adsorbed Graphyne and Graphdiyne (M@GY, M&GDY, M=Li or Na) as high-performance SP3T or 3P3T Near- and Mid-Far-infrared NLO molecular switches: A theoretical study

Theoretical insights into double-headed superalkalide ion pairs, K δ − [AE + @HMHC]K δ − (AE = Ca and Sr), as stable and high-performance single-pole double-throw mid-far-infrared NLO molecular switches

Superalkali-alkaline earthide ion pairs of δ + (AM-HMHC)-AM′ δ − (AM = Li, Na and K; AM′ = Be, Mg and Ca) possessing large NLO responses and excellent electronic stabilities and alkalide characteristics: a DFT study

Quantum Chemical Approaches for Manipulation and Evaluation of Intracage Microelectric Field Strength of Molecular Containers in Y@C64 and Y@C64X4 (X = Cl, F, and H, Y = NH4Cl, H3O–Cl, and 2H2O)

Torch-like high-performance NLO and electrochromic bifunctional molecular switch exhibiting superalkalide and superalkali metal salt characteristics

Alkaline earth metal Atom-Doped Aza-Single-Strand pyridine Helix M@SP-Helix (M = Be, Mg, and Ca) as high-performance candidates for Single-Molecular redox SPDT NLO molecular switches

OEEF-Driven Intramolecular Self-Redox of Superalkali Rb3BeB6Be′Rb′3: A High-Performance Candidate for NLO Molecular Switch

Theoretical insights into single-pole quadruple-throw (SP4T) inorganic nonlinear optics molecular switch of Na(HCN) 3 Na: from superalkali to superalkalides

Can a molecular switch exist in both superalkali electride and superalkalide forms?

Superalkali-alkalide ion pairs δ+(M-HMHC)-M’ δ - (M, M’ = Li, Na and K) serving as high-performance NLO molecular materials

Conversions of localized excess electrons and spin states under external electric field: Inter‐cage electron‐transfer isomer ( C20F20 )3& K2

From an electride-like super alkali earth atom to a superalkalide or superalkali electride: M(HF) 3 M (M = Na or Li) as field-induced excellent inorganic NLO molecular switches

Switching from an electride-like molecule to the molecular electride K-F 6 C 6 H 6 driven by an oriented external electric field

Electric field induced intra-molecular self-redox: superalkali Li 3 N 3 Mg as a candidate for NLO molecular switches

Novel inorganic aromatic mixed-valent superalkali electride CaN 3 Ca: an alkaline-earth-based high-sensitivity multi-state nonlinear optical molecular switch

Hopping of Li@AR (AR = Benzene and Naphthalene) between Electride and Lithium Salt Configurations Brings Considerably Different First Hyperpolarizabilities: Candidate for High-Performance Nonlinear Optical Molecular Switches

Long-Range Charge Transfer Driven by External Electric Field in Alkalides M–LCaL–M (M = Li or Na, L = All-cis 1,2,3,4,5,6-Hexafluorocyclohexane): Facially Polarized Janus-Type Second Order Nonlinear Molecular Optical Switches

Theoretical insights into the effect of heterocycles of the molecular framework on photochromic magnetic properties of diarylethene compounds

Theoretical insights into the magneto-structural correlation: Comparison between series of copper(I) and silver(I) metal complexes with nitronyl nitroxide radicals

碱土金属类无机碱金属化合物的静态第一超极化率的理论研究（英文）

莫比乌斯型环多并苯(Mbius[n]cyclacenes,n=7～10)的开壳单态双自由基特性研究

Theoretical insight into the open‐shell singlet diradical character of single molecular solvated dielectron e2@CnFn (n = 20, 28, 36, 50, 60, and 80)

Multidecker Sandwich Cluster VnBenn+1 (n = 1, 2, 3, 4) as a Polarizable Bridge for Designing 1D Second-Order NLO Chromophore: Metal−π Sandwich Multilayer Structure as a Particular Charge-Transfer Axis for Constructing Multidimensional NLO Molecules

Multidecker Sandwich Complexes VnBenn+1 (n = 1, 2, 3) as Stronger Electron Donor Relative to Ferrocene for Designing High-Performance Organometallic Second-Order NLO Chromophores: Evident Layer Effect on the First Hyperpolarizability and Two-Dimensional NLO Character

双电子体系（H2O）122-的结构及额外电子定位研究

篮柄的增长对Mbius及Hückel分子篮的非线性光学响应的影响

Effect of alkaline earth metal atom on the large static first hyperpolarizabilities of alkaline earth-based alkalides Be(NH3)nM (M=Be and Ca) in comparison with alkalides Li(NH3)nNa (n=1–3)

锂掺杂胺化物中氮原子配位数效应对结构和非线性光学性质的影响

Theoretical investigation of the structures, stabilities, and NLO responses of calcium-doped pyridazine: Alkaline-earth-based alkaline salt electrides

Coordination number effect of nitrogen atom on the structures and NLO responses: alkaline earth-based alkalides

Structures and nonlinear optical properties of the endohedral metallofullerene-superhalogen compounds Li@C60–BX4 (X = F, Cl, Br)

非对称笼间电子迁移异构体与电场诱导电子迁移

全氟化的钾外掺杂富勒烯K…C24F24的结构与额外电子特性研究

Quantum Mechanical Design and Structures of Hexanuclear Sandwich Complex and Its Multidecker Sandwich Clusters (Li6)n([18]Annulene)n+1 (n = 1–3)

Intercage Electron Transfer Driven by Electric Field in Robin–Day‐Type Molecules

Evolution of excess electron binding motifs under both internal‐push (from exo C–F bonds) and external‐push (from endo C–F bonds) electron effects in endohedral metallofullerenes with endo C–F bonds

金属-金属氧化物-非金属型超碱金属夹心化合物Li3OMC5H5（M=Be,Mg,和Ca）的非线性光学性质研究

Evolution of lone pair of excess electrons inside molecular cages with the deformation of the cage in e2@C60F60systems

How Does a Double-Cage Single Molecule Confine an Excess Electron? Unusual Intercage Excess Electron Transfer Transition

两个四硫富瓦烯分子正离子自由基TTF·+之间的共价吸引作用

会议论文

Ag(Ⅰ)、Cu(Ⅰ)氮氧自由基配合物铁磁性偶合作用的理论研究

基于构型转换诱导电荷转移的非线性分子开关

Theoretical Study on Fullerene[44]and Their Endohedral/Exohedral Derivatives

二芳基乙烯自由基磁偶合体系取代基效应的理论研究

理论研究金属包合物—超卤素复合物Li@C 60 -BX 4 （X=F,Cl,Br）的非线性光学性质

开壳型单态双自由基（H 2 O） n 2- （n=8～20）:电场诱导与自由基电子定位

研究方向