| 1 |
Comparative theoretical study of formic acid decomposition on PtAg(111) and Pt(111) surfaces
|
期刊论文 |
Qi Yuanyuan;Gao Jun;Zhang Dongju;Liu Chengbu |
| 2 |
Efficient He-3/He-4 separation in a nanoporous graphenylene membrane
|
期刊论文 |
Qu Yuanyuan;Li Feng;Zhao Mingwen |
| 3 |
Valley-selective circular dichroism and high carrier mobility of graphene-like BC6N
|
期刊论文 |
Liu Xiaobiao;Ma Xikui;Gao Han;Zhang Xiaoming;Ai Haoqiang;Li Weifeng;Zhao Mingwen |
| 4 |
Highly Efficient Quantum Sieving in Porous Graphene-like Carbon Nitride for Light Isotopes Separation
|
期刊论文 |
Qu Yuanyuan;Li Feng;Zhou Hongcai;Zhao Mingwen |
| 5 |
Theoretical elucidation of the dual role of [HMIm]BF4 ionic liquid as catalyst and extractant in the oxidative desulfurization of dibenzothiophene
|
期刊论文 |
Xu Hao;Hau Zhe;Zhang Dongju;Liu Chengbu |
| 6 |
Enhancing the cycling stability of Na-ion batteries by bonding SnS2 ultrafine nanocrystals on amino-functionalized graphene hybrid nanosheets
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期刊论文 |
Jiang Yong;Wei Min;Feng Jinkui;Ma Yuchen;Xiong Shenglin |
| 7 |
Structures and photoelectric properties of five benzotrithiophene isomers-based donor-acceptor copolymers
|
期刊论文 |
Cheng Na;Ma Yuchen;Liu Yongjun;Zhang Changqiao;Liu Chengbu |
| 8 |
The Dual Role of Gold(I) Complexes in Photosensitizer-Free Visible-Light-Mediated Gold-Catalyzed 1,2-Difunctionalization of Alkynes: A DFT Study
|
期刊论文 |
Yanhong Liu;Yiying Yang;Rongxiu Zhu;Chengbu Liu;Dongju Zhang |
| 9 |
Mechanistic exploration of CpRe(CO)3-catalyzed coupling of chloromethyloxirane with CO2: Unexpected potentials of CO ligands
|
期刊论文 |
Yuxia Liu;Guojing Pei;Jiayong Wang;Lingjun Liu;Dongju Zhang;Siwei Bi |
| 10 |
Efficient hydrogen isotopologues separation through a tunable potential barrier: The case of a C2N membrane
|
期刊论文 |
Qu Yuanyuan;Li Feng;Zhao Mingwen |
| 11 |
Dumbbell stanane: a large-gap quantum spin hall insulator
|
期刊论文 |
Xin Chen;Linyang Li;Mingwen Zhao |
| 12 |
Tuning of Interlayer Coupling in Large-Area Graphene/WSe2 van der Waals Heterostructure via Ion Irradiation: Optical Evidences and Photonic Applications
|
期刊论文 |
Tan Yang;Liu Xiaobiao;He Zhiliang;Liu Yanran;Zhao Mingwen;Zhang Han;Chen Feng |
| 13 |
Modeling interactions between a beta-O-4 type lignin model compound and 1-allyl-3-methylimidazolium chloride ionic liquid
|
期刊论文 |
Zhu Youtao;Yan Jing;Liu Chengbu;Zhang Dongju |
| 14 |
Tunable C2N Membrane for High Efficient Water Desalination
|
期刊论文 |
Yang Yanmei;Li Weifeng;Zhou Hongcai;Zhang Xiaoming;Zhao Mingwen |
| 15 |
Effects of defects on the electronic and optical properties of TiO2 nanosheet
|
期刊论文 |
Fan Jin;Xiao Zhang;Min Wei;Yuchen Ma |
| 16 |
Decisive effects of solvent and substituent on the reactivity of Ru-catalyzed hydrogenation of ethyl benzoate to benzyl alcohol and ethanol: A DFT study
|
期刊论文 |
Wang Hongliang;Liu Chengbu;Zhang Dongju |
| 17 |
Topological states in a two-dimensional metal alloy in Si surface: BiAg/Si(111)-4 x 4 surface
|
期刊论文 |
Zhang Xiaoming;Cui Bin;Zhao Mingwen;Liu Feng |
| 18 |
Mediating both valence and conduction bands of TiO2 by anionic dopants for visible- and infrared-light photocatalysis.
|
期刊论文 |
Chen Tingwei;Liu Guokui;Jin Fan;Wei Min;Feng Jin;Ma Yuchen |
| 19 |
Influence of functional groups on water splitting in carbon nanodot and graphitic carbon nitride composites: a theoretical mechanism study
|
期刊论文 |
Feng Jin;Liu Guokui;Yuan Shiling;Ma Yuchen |
| 20 |
Anchoring effects of S-terminated Ti2C MXene for lithium-sulfur batteries: A first-principles study
|
期刊论文 |
Liu Xiaobiao;Shao Xiaofei;Li Feng;Zhao Mingwen |
| 21 |
Robust half-metallicity and topological aspects in two-dimensional Cu-TPyB
|
期刊论文 |
Xiaoming Zhang;Mingwen Zhao |
| 22 |
Germanium sulfide nanosheet: a universal anode material for alkali metal ion batteries
|
期刊论文 |
Li Feng;Qu Yuanyuan;Zhao Mingwen |
| 23 |
Prediction of quantum anomalous Hall effect on graphene nanomesh
|
期刊论文 |
Xiaoming Zhang;Mingwen Zhao |
| 24 |
Cleavage of the β–O–4 bond in a lignin model compound using the acidic ionic liquid 1-H-3-methylimidazolium chloride as catalyst: a DFT mechanistic study
|
期刊论文 |
Youtao Zhu;Zhe Han;Lijun Fu;Chengbu Liu;Dongju Zhang |
| 25 |
Optical properties of acene molecules and pentacene crystal from the many-body Green's function method
|
期刊论文 |
Leng Xia;Feng Jin;Chen Tingwei;Liu Chengbu;Ma Yuchen |
| 26 |
Electronic and optical properties of B- and/or In-doped GaAs calculated using many-body Green’s function theory
|
期刊论文 |
Dongmei Liang;Xia Leng;Yuchen Ma |
| 27 |
Theoretical Insight into Ligand- and Counterion-Controlled Regiodivergent Reactivity in Synthesis of Borylated Furans: 1,2-H vs 1,2-B Migration
|
期刊论文 |
Yiying Yang;Jinghua Li;Rongxiu Zhu;Chengbu Liu;Dongju Zhang |
| 28 |
Valley polarization and ferroelectricity in a two-dimensional GaAsC6 monolayer
|
期刊论文 |
Ma Xikui;Ai Haoqiang;Gao Han;Zhang Xiaoming;Li Weifeng;Zhao Mingwen |
| 29 |
Electronic energy transfer studied by many-body Green's function theory
|
期刊论文 |
Leng Xia;Jin Fan;Wei Min;Ma Huizhong;Feng Jin;Ma Yuchen |
| 30 |
Theoretical Design of an InSe/GaTe vdW Heterobilayer: A Potential Visible-Light Photocatalyst for Water Splitting
|
期刊论文 |
Yingcai Fan;Xikui Ma;Xiaobiao Liu;Junru Wang;Haoqiang Ai;Mingwen Zhao |
| 31 |
Cu3N and its analogs: a new class of electrodes for lithium ion batteries
|
期刊论文 |
Wang Junru;Li Feng;Liu Xiaobiao;Zhou Hongcai;Shao Xiaofei;Qu Yuanyuan;Zhao Mingwen |
| 32 |
New Insight into the Formation Mechanism of Imidazolium-Based Ionic Liquids from N-Alkyl Imidazoles and Halogenated Hydrocarbons: A Polar Microenvironment Induced and Autopromoted Process
|
期刊论文 |
Mu Xueli;Jiang Nan;Liu Chengbu;Zhang Dongju |
| 33 |
Theoretical study of the reaction of chitosan monomer with 2,3-epoxypropyl-trimethyl quaternary ammonium chloride catalyzed by an imidazolium-based ionic liquid
|
期刊论文 |
Mu Xueli;Yang Xiaodeng;Zhang Dongju;Liu Chengbu |
| 34 |
Excitons and Davydov splitting in sexithiophene from first-principles many-body Green's function theory
|
期刊论文 |
Xia Leng;Huabing Yin;Dongmei Liang;Yuchen Ma |
| 35 |
Variation of optical spectra of water clusters with size from many-body Green's function theory
|
期刊论文 |
Wei Min;Jin Fan;Chen Tingwei;Ma Yuchen |
| 36 |
Solvent dependence of the stereoselectivity in bipyridine N,N′-dioxide catalyzed allylation of aromatic aldehydes: A computational perspective
|
期刊论文 |
Cuihuan Geng;Rongxiu Zhu;Dongju Zhang;Tongxiang Lu;Steven E. Wheeler;Chengbu Liu |
| 37 |
Different Dissociation Rates of Singlet and Triplet Excitons of Pentacene at the Interface in Solar Cells
|
期刊论文 |
Wei Min;Jin Fan;Chen Tingwei;Ma Huizhong;Liu Chengbu;Ma Yuchen |
| 38 |
Theoretical Elucidation of the Mechanism and Kinetic Experimental Phenomena on the Esterification of alpha-Tocopherol with Succinic Anhydride: Catalysis of a Histidine Derivative vs an Imidazolium-Based Ionic Liquid
|
期刊论文 |
Jing Yaru;Zhu Rongxiu;Liu Chengbu;Zhang Dongju |
| 39 |
Theoretical insight into the zinc(ii)-catalyzed synthesis of 2-indolyltetrahydroquinolines from N-propargylanilines and indoles: cross-dehydrogenative coupling with temporally separated catalytic activity
|
期刊论文 |
Hongliang Wang;Mengmeng Dong;Chengbu Liu;Dongju Zhang |
| 40 |
Hydrogen Confined in a Single Wall Carbon Nanotube Becomes a Metallic and Superconductive Nanowire under High Pressure
|
期刊论文 |
Xia Yueyuan;Yang Bo;Jin Fan;Ma Yuchen;Liu Xiangdong;Zhao Mingwen |
| 41 |
Mechanistic Insights into Formaldehyde-Blocked Lignin Condensation: A DFT Study
|
期刊论文 |
Mu Xueli;Han Zhe;Liu Chengbu;Zhang Dongju |
| 42 |
Theoretical Discovery of a Superconducting Two-Dimensional Metal-Organic Framework
|
期刊论文 |
Zhang Xiaoming;Zhou Yinong;Cui Bin;Zhao Mingwen;Liu Feng |
| 43 |
DFT Study on the Mechanism of Formic Acid Decomposition by a Well-Defined Bifunctional Cyclometalated Iridium(III) Catalyst: Self-Assisted Concerted Dehydrogenation via Long-Range Intermolecular Hydrogen Migration
|
期刊论文 |
Li Jingjing;Li Jinghua;Zhang Dongju;Liu Chengbu |
| 44 |
Theoretical Elucidation of Glucose Dehydration to 5-Hydroxymethylfurfural Catalyzed by a SO3H-Functionalized Ionic Liquid
|
期刊论文 |
Li Jingling;Li Jinghua;Zhang Dongju;Liu Chengbu |
| 45 |
Quasiparticle Band Structures and Optical Properties of Graphitic Carbon Nitrides
|
期刊论文 |
Liang Dong-Mei;Leng Xia;Ma Yu-Chen |
| 46 |
Direct Z-scheme photocatalytic overall water splitting on 2D CdS/InSe heterostructures
|
期刊论文 |
Fan Yingcai;Yang Bo;Song Xiaohan;Shao Xiaofei;Zhao Mingwen |
| 47 |
Ti-Ti sigma bond at oxygen vacancy inducing the deep defect level in anatase TiO2 (101) surface
|
期刊论文 |
Hao Ya nan;Chen Tingwei;Zhang Xiao;Zhou He;Ma Yuchen |
| 48 |
Hydrogenation-induced large-gap quantum-spin-Hall insulator states in a germanium-tin dumbbell structure
|
期刊论文 |
Chen Xin;Li Linyang;Zhao Mingwen |
| 49 |
Theoretical investigation on the mechanism of glucose-to-fructose isomerization synergistically catalyzed by MnCl2 and [C4SO3HMIM][CH3SO3] in [BMIM]Cl
|
期刊论文 |
Jing Yaru;Han Zhe;Liu Chengbu;Zhang Dongju |
| 50 |
Dirac cones and highly anisotropic electronic structure of super-graphyne
|
期刊论文 |
Yang Bo;Zhou Hongcai;Zhang Xiaoming;Liu Xiaobiao;Zhao Mingwen |
| 51 |
Behavior of Photogenerated Electron–Hole Pair for Water Splitting on TiO2(110)
|
期刊论文 |
Fan Jin;Min Wei;Tingwei Chen;Huizhong Ma;Guokui Liu;Yuchen Ma |
| 52 |
Electronic structures of rutile (011)(2 x 1) surfaces: A many-body perturbation theory study
|
期刊论文 |
Liu Guokui;Chen Tingwei;Liu Xiaobiao;Jin Fan;Yuan Shiling;Ma Yuchen |
| 53 |
DFT Study on Photosensitizer-Free Visible-Light-Mediated AuCatalyzed cis-Difunctionalization of Alkynes: Mechanism and Selectivities as Compared to Rh Catalysis
|
期刊论文 |
Yanhong Liu;Yiying Yang;Rongxiu Zhu;Chengbu Liu;Dongju Zhang |
| 54 |
Zr2Si: an antiferromagnetic Dirac MXene
|
期刊论文 |
Shao Xiaofei;Liu Xiaobiao;Zhang Xiaoming;Wang Junru;Zhao Mingwen |
| 55 |
Strain-driven band inversion and topological aspects in Antimonene
|
期刊论文 |
Mingwen Zhao;Xiaoming Zhang;Linyang Li |
| 56 |
Tunable broadband hyperbolic light dispersion in metal diborides
|
期刊论文 |
HAN GAO;XIAOMING ZHANG;WEIFENG LI;MINGWEN ZHAO |
| 57 |
Theoretical study of the mechanism of two successive N-methylene C-H bond activations on a phosphine-tethered N-heterocyclic carbene on a triruthenium carbonyl cluster
|
期刊论文 |
Yan Jing;Han Zhe;Zhang Dongju;Liu Chengbu |
| 58 |
Enhanced piezoelectricity of monolayer phosphorene oxides: a theoretical study
|
期刊论文 |
Yin Huabing;Zheng Guang Ping;Gao Jingwei;Wang Yuanxu;Ma Yuchen |
| 59 |
Electronic properties of a pi-conjugated Cairo pentagonal lattice: Direct band gap, ultrahigh carrier mobility, and slanted Dirac cones
|
期刊论文 |
Shao Xiaofei;Liu Xiaobiao;Zhao Xinrui;Wang Junru;Zhang Xiaoming;Zhao Mingwen |
| 60 |
GW method and Bethe-Salpeter equation for calculating electronic excitations
|
期刊论文 |
Leng Xia;Jin Fan;Wei Min;Ma Yuchen |
| 61 |
Chern Insulator and Chern Half-Metal States in the Two-Dimensional Spin-Gapless Semiconductor Mn2C6S12
|
期刊论文 |
Wang Aizhu;Zhang Xiaoming;Feng Yuanping;Zhao Mingwen |
| 62 |
Electron spin-polarization and spin-gapless states in an oxidized carbon nitride monolayer
|
期刊论文 |
Zhou Hongcai;Liu Xiaobiao;Yang Bo;Qu Yuanyuan;Bu Hongxia;Zhao Mingwen |
| 63 |
Unusual electronic and mechanical properties of sodium chlorides at high pressures
|
期刊论文 |
Bu Hongxia;Zhao Mingwen;Zhou Hongcai;Du Yanling |
| 64 |
Novel Conductive Metal-Organic Framework for a High-Performance Lithium Sulfur Battery Host: 2D Cu-Benzenehexathial (BHT)
|
期刊论文 |
Li Feng;Zhang Xiaoming;Liu Xiaobiao;Zhao Mingwen |
| 65 |
Passivated Codoping Can Improve the Solar-to-Hydrogen Efficiency of Graphitic Carbon Nitride
|
期刊论文 |
Feng Jin;Ma Huizhong;Chen Tingwei;Liu Chengbu;Ma Yuchen |
| 66 |
Theoretical description for the Rh(I)-catalyzed borylation mechanism of a typical aryl cyanide
|
期刊论文 |
Yan Jing;Bi Siwei;Zhang Dongju;Liu Chengbu |
| 67 |
Band inversion and topological aspects in a TiNI monolayer
|
期刊论文 |
Wang Aizhu;Wang Zhenhai;Du Aijun;Zhao Mingwen |
| 68 |
酸性咪唑离子液体催化纤维素降解的分子机制
|
期刊论文 |
李婧婧;高军;张冬菊;刘成卜 |
| 69 |
Theoretical Insight into the Mechansim and Origin of Ligand-Controlled Regioselectivity in Homogenous Gold-Catalyzed Intramolecular Hydroarylation of Alkynes
|
期刊论文 |
Yang Yiying;Liu Yanhong;Lv Pingli;Zhu Rongxiu;Liu Chengbu;Zhang Dongju |
| 70 |
A new energy transfer channel from carotenoids to chlorophylls in purple bacteria
|
期刊论文 |
Feng Jin;Tseng Chi Wei;Chen Tingwei;Leng Xia;Yin Huabing;Cheng Yuan Chung;Rohlfing Michael;Ma Yuchen |
| 71 |
咪唑醋酸离子液体催化CO2交联壳聚糖的微观机理研究
|
期刊论文 |
穆雪丽;刘成卜;张冬菊 |
| 72 |
Spin-polarized Dirac cones and topological nontriviality in a metal-organic framework Ni2C24S6H12
|
期刊论文 |
Wei Lin;Zhang Xiaoming;Zhao Mingwen |
| 73 |
Tunable topological states in electron-doped HTT-Pt
|
期刊论文 |
Zhang Xiaoming;Wang Zhenhai;Zhao Mingwen;Liu Feng |
| 74 |
Mechanistic Study on the Decarboxylative sp(3) C-N Cross-Coupling between Alkyl Carboxylic Acids and Nitrogen Nucleophiles via Dual Copper and Photoredox Catalysis
|
期刊论文 |
Zhao Xia;Liu Yanhong;Zhu Rongxiu;Liu Chengbu;Zhang Dongju |
| 75 |
The mechanism for the formation of OH radicals in condensed-phase water under ultraviolet irradiation
|
期刊论文 |
Jin Fan;Wei Min;Liu Chengbu;Ma Yuchen |
| 76 |
Theoretical Design of Highly Efficient CO2/N-2 Separation Membranes Based on Electric Quadrupole Distinction
|
期刊论文 |
Qu Yuanyuan;Li Feng;Zhao Mingwen |
| 77 |
Prediction of a large-gap quantum-spin-Hall insulator: Diamond-like GaBi bilayer
|
期刊论文 |
Aizhu Wang;Aijun Du;Mingwen Zhao |
| 78 |
Efficient helium separation of graphitic carbon nitride membrane
|
期刊论文 |
Feng Li;Yuanyuan Qu;Mingwen Zhao |
| 79 |
Reexamination of formic acid decomposition on the Pt(111) surface both in the absence and in the presence of water, from periodic DFT calculations
|
期刊论文 |
Qi Yuanyuan;Li Jingjing;Zhang Dongju;Liu Chengbu |
| 80 |
Theoretical investigation of gold-catalyzed oxidative C-sp3-C-sp2 bond formation via aromatic C-H activation
|
期刊论文 |
Geng Cuihuan;Zhang Sujuan;Duan Chonggang;Lu Tongxiang;Zhu Rongxiu;Liu Chengbu |
| 81 |
DFT study of the adsorption of 2,3,7,8-tetrachlorodibenzo-p-dioxin on pristine and Ni-doped boron nitride nanotubes
|
期刊论文 |
Wang Ruoxi;Zhang Dongju;Liu Chengbu |
| 82 |
Where do photogenerated holes at the g-C3N4/water interface go for water splitting: H2O or OH−?
|
期刊论文 |
Huizhong Ma;Jin Feng;Fan Jin;Min Wei;Chengbu Liu;Yuchen Ma |
| 83 |
DFT Study on the Formation Mechanism of Normal and Abnormal N-Heterocyclic Carbene-Carbon Dioxide Adducts from the Reaction of an Imidazolium-Based Ionic Liquid with CO
|
期刊论文 |
Dong Mengmeng;Gao Jun;Liu Chengbu;Zhang Dongju |
| 84 |
Computational study on the 1,3-diyne synthesis from gold(i)-catalyzed alkynylation of terminal alkynes with alkynyl hypervalent iodine reagents under the aid of a silver complex and 1,10-phenanthroline
|
期刊论文 |
Liu Yanhong;Yang Yiying;Zhu Rongxiu;Liu Chengbu;Zhang Dongju |
| 85 |
低维系统的拓扑电子态、缺陷及界面效应
|
奖励 |
赵明文;马玉臣;李伟峰;刘成卜 |
| 86 |
Giant Topological Nontrivial Band Gaps in Chloridized Gallium Bismuthide
|
期刊论文 |
Linyang Li;Xiaoming Zhang;Xin Chen;Mingwen Zhao |
| 87 |
Intrinsic half-metallicity in fractal carbon nitride honeycomb lattices
|
期刊论文 |
Aizhu Wang;Mingwen Zhao |
| 88 |
How and why a [Bu4P][Im]/CO2 system efficiently catalyzes the hydration of propargylic alcohols to alpha-hydroxy ketones: electrostatically controlled reactivity
|
期刊论文 |
Mu Xueli;Liu Chengbu;Zhang Dongju |
| 89 |
Mechanistic insight into beta-O-4 linkage cleavage of lignin model compound catalyzed by a SO3 H-functionalized imidazolium ionic liquid: An unconventional E1 elimination
|
期刊论文 |
Jing Yaru;Mu Xueli;Han Zhe;Liu Chengbu;Zhang Dongju |
| 90 |
PNTCDA: a promising versatile organic electrode material for alkali-metal ion batteries
|
期刊论文 |
Junru Wang;Feng Li;Yuanyuan Qu;Yang Liu;Yanmei Yang;Weifeng Li;Mingwen Zhao |
| 91 |
Strain-Modulated Electronic Structure and Infrared Light Adsorption in Palladium Diselenide Monolayer
|
期刊论文 |
Liu Xiaobiao;Zhou Hongcai;Yang Bo;Qu Yuanyuan;Zhao Mingwen |
| 92 |
Theoretical study on the effective dehydrochlorination of 1,2-dichloroethane catalyzed by tetraalkylphosphonium chlorides: electrostatically controlled reactivity
|
期刊论文 |
Mu Xueli;Jing Yaru;Liu Chengbu;Zhang Dongju |
| 93 |
Theoretical Insight into the Au(I)-Catalyzed Intermolecular Condensation of Homopropargyl Alcohols with Terminal Alkynes: Reactant Stoichiometric Ratio-Controlled Chemodivergence
|
期刊论文 |
Yang Yiying;Li Jinghua;Zhu Rongxiu;Liu Chengbu;Zhang Dongju |
| 94 |
Kane Fermion in a Two-Dimensional pi-Conjugated Bis(iminothiolato)nickel Monolayer
|
期刊论文 |
Wang Aizhu;Zhao Xinrui;Zhao Mingwen;Zhang Xiaoming;Feng Yuanping;Liu Feng |
| 95 |
Giant Piezoelectric Effects in Monolayer Group-V Binary Compounds with Honeycomb Phases: A First-Principles Prediction
|
期刊论文 |
Yin Huabing;Gao Jingwei;Zheng Guang Ping;Wang Yuanxu;Ma Yuchen |
| 96 |
Dirac node lines in two-dimensional Lieb lattices
|
期刊论文 |
Yang Bo;Zhang Xiaoming;Zhao Mingwen |
| 97 |
Negative Poisson's ratio and high-mobility transport anisotropy in SiC6 siligraphene
|
期刊论文 |
Liu Xiaobiao;Shao Xiaofei;Yang Bo;Zhao Mingwen |
| 98 |
Serendipity of a topological nontrivial band gap in the 2D borophene subunit lattice with broken mirror symmetry
|
期刊论文 |
Wang Aizhu;Shen Lei;Zhao Mingwen;Zhang Xiaoming;He Tao;Li Weifeng;Feng Yuanping;Liu Hong |
| 99 |
Mechanism of the sequential activation of two C-H bonds of a NHC N-methyl group on a triruthenium carbonyl cluster
|
期刊论文 |
Yan Jing;Han Zhe;Zhang Dongju;Liu Chengbu |
| 100 |
Dirac cones in a snub trihexagonal tiling lattice with reflective symmetry breaking
|
期刊论文 |
Yang Bo;Zhang Xiaoming;Wang Aizhu;Zhao Mingwen |
| 101 |
铂催化2-烯炔苯甲醛水合环化反应的机理及化学选择性的理论研究(英文)
|
期刊论文 |
郭今心;朱荣秀;张冬菊;李明霞;刘成卜 |
| 102 |
Mechanistic study on the Rh(III)-catalyzed synthesis of indolines via selective O-atom transfer of arylnitrones: Origins of the regioselectivity and the improved yield with pivalic acid additive
|
期刊论文 |
Wang Hongliang;Liu Chengbu;Zhang Dongju |
| 103 |
Silicene and germanene on InSe substrates: structures and tunable electronic properties
|
期刊论文 |
Fan Yingcai;Liu Xiaobiao;Wang Junru;Ai Haoqiang;Zhao Mingwen |
| 104 |
Prediction of a flexible anode material for Li/Na ion batteries: Phosphorous carbide monolayer (alpha-PC)
|
期刊论文 |
Qi Siyun;Li Feng;Wang Junru;Qu Yuanyuan;Yang Yanmei;Li Weifeng;Zhao Mingwen |
| 105 |
Promising half-metallicity in ductile NbF3: a first-principles prediction
|
期刊论文 |
Yang Bo;Wang Junru;Liu Xiaobiao;Zhao Mingwen |
| 106 |
Solvent dependence of the stereoselectivity in bipyridine N,N′-dioxide catalyzed allylation of aromatic aldehydes: A computational perspective
|
期刊论文 |
Cuihuan Geng;Rongxiu Zhu;Dongju Zhang;Tongxiang Luc;Steven E. Wheeler;Chengbu Liu |
| 107 |
Theoretical Insight into the Conversion Mechanism of Glucose to Fructose Catalyzed by CrCl2 in Imidazolium Chlorine Ionic Liquids
|
期刊论文 |
Jing Yaru;Gao Jun;Liu Chengbu;Zhang Dongju |
| 108 |
Theoretical study of the mechanism of formic acid decomposition on the PdAg(111) surface
|
期刊论文 |
Wang Yingying;Liu Peng;Zhang Dongju;Liu Chengbu |
| 109 |
Spin-gapless semiconducting graphitic carbon nitrides: A theoretical design from first principles
|
期刊论文 |
Zhang Xiaoming;Wang Aizhu;Zhao Mingwen |
| 110 |
Electron spin-polarization and band gap engineering in carbon-modified graphitic carbon nitrides
|
期刊论文 |
Bo Yang;Hongcai Zhou;Xiaoming Zhang;Mingwen Zhao |
| 111 |
Two-Dimensional COF with Rather Low Exciton Binding Energies Comparable to 3D Inorganic Semiconductors in the Visible Range for Water Splitting
|
期刊论文 |
Ma Huizhong;Wei Min;Jin Fan;Chen Tingwei;Ma Yuchen |
| 112 |
Tungsten boride: a 2D multiple Dirac semimetal for the hydrogen evolution reaction
|
期刊论文 |
Wang Aizhu;Shen Lei;Zhao Mingwen;Wang Junru;Zhou Weijia;Li Weifeng;Feng Yuanping;Liu Hong |
| 113 |
Two-Dimensional Metal-Organic Half-metallic Antiferromagnet: CoFePz
|
期刊论文 |
Ai Haoqiang;Liu Xiaobiao;Yang Bo;Zhang Xiaoming;Zhao Mingwen |
| 114 |
Origin of the deep band-gap state in TiO2: dd sigma bonds between Ti-Ti pairs
|
期刊论文 |
Chen Tingwei;Hao Ya nan;Jin Fan;Wei Min;Feng Jin;Jia Ran;Yi Zhijun;Rohlfing Michael;Liu Chengbu;Ma Yuchen |
| 115 |
Half-metallic TiF3: a potential anode material for Li-ion spin batteries
|
期刊论文 |
Wang Junru;Li Feng;Yang Bo;Liu Xiaobiao;Zhao Mingwen |
| 116 |
Atomic Resolution Insights into the Structural Aggregations and Optical Properties of Neat Imidazolium-Based Ionic Liquids
|
期刊论文 |
Du Likai;Geng Cuihuan;Zhang Dongju;Lan Zhenggang;Liu Chengbu |
| 117 |
Intrinsic multiferroicity in two- dimensional VOCl2 monolayers
|
期刊论文 |
Ai Haoqiang;Song Xiaohan;Qi Siyun;Li Weifeng;Zhao Mingwen |
| 118 |
Theoretical Explanation for How SO3H-Functionalized Ionic Liquids Promote the Conversion of Cellulose to Glucose
|
期刊论文 |
Li Jingjing;Li Jinghua;Zhang Dongju;Liu Chengbu |
| 119 |
Theoretical Insight into the Mechanism and Origin of Divergent Reactivity in the Synthesis of Benzo-Heterocycles from o‑Alkynylbenzamides Catalyzed by Gold and Platinum Complexes
|
期刊论文 |
Yiying Yang;Yanhong Liu;Rongxiu Zhu;Chengbu Liu;Dongju Zhang |
| 120 |
Theoretical study on the mechanism of selective fluorination of aromatic compounds with Selectfluor
|
期刊论文 |
Geng Cuihuan;Du Likai;Liu Fang;Zhu Rongxiu;Liu Chengbu |
| 121 |
Enhancing superconductivity in bulk beta-Bi2Pd by negative pressure induced by quantum electronic stress
|
期刊论文 |
Zhang Xiaoming;Zhao Mingwen;Liu Feng |
| 122 |
Hyperbolic dispersion and negative refraction in a metal-organic framework Cu-BHT
|
期刊论文 |
Gao Han;Wang Zhenhai;Ma Xikui;Zhang Xiaoming;Li Weifeng;Zhao Mingwen |
| 123 |
Mechanistic picture of the redox-neutral C-C bond cleavage in 1,3-dilignol lignin model compound catalyzed by [Ru(Cl)(H)(PPh3)(3)]/triphos
|
期刊论文 |
Zhao Xia;Yang Yiying;Zhu Rongxiu;Liu Chengbu;Zhang Dongju |
| 124 |
Tunable Dirac cones in two-dimensional covalent organic materials: C2N6S3 and its analogs
|
期刊论文 |
Wei Lin;Zhang Xiaoming;Liu Xiaobiao;Zhou Hongcai;Yang Bo;Zhao Mingwen |
| 125 |
多体格林函数方法对g-CN激发态特性的研究
|
期刊论文 |
梁冬梅;冷霞;马玉臣 |
