Xiao‐Hong Li

发表

Effect of TiO2 loading on the activity of V/TiO2-Al2O3 in the catalytic oxidehydrogenation of ethylbenzene with carbon dioxide

Wenying Li, Xiao‐Hong Li, 2010 .

Behaviors of V-doped Titanium Mixed Oxides in the Catalytic Dehydrogenation of Ethylbenzene

Wenying Li, Jie Feng, Xiao‐Hong Li, 2009 .

THEORETICAL STUDIES ON BOND DISSOCIATION ENERGIES FOR SOME ALIPHATIC ALCOHOL COMPOUNDS BY DENSITY FUNCTIONAL THEORY AND CBS-Q METHOD

Xiao‐Hong Li, Gengxin Yin, Xian-zhou Zhang, 2011 .

Semi-coke as solid heat carrier for low-temperature coal tar upgrading

Wen‐ying Li, Jie Feng, Xiao‐Hong Li, 2016 .

Theoretical investigation on vibrational spectroscopic and nonlinear optical activity of 1-(4-chloro phenyl)-3-(4-dimethylamino phenyl) prop-2-en-1-one

Xiao‐Hong Li, Hong‐ling Cui, Rui-Zhou Zhang, 2017 .

Ni-Co bimetallic catalyst for CH4 reforming with CO2

Wenying Li, Xiao‐Hong Li, J. Ai, 2010 .

Theoretical studies of bond dissociation energies of S–NO for S-nitrosothiols

Xiao‐Hong Li, Xiang-dong Yang, Rui-Zhou Zhang, 2007 .

Theoretical investigation of some O-nitrosyl carboxylate biologic molecules — A natural bond orbital study

Xiao‐Hong Li, Xian-zhou Zhang, Rui-Zhou Zhang, 2011 .

Natural bond orbital (NBO) population analysis of some benzyl nitrites

Xiao‐Hong Li, Gengxin Yin, Xian-zhou Zhang, 2010 .

Natural bond orbital analysis of some para-substituted N-nitrosoacetanilide biological molecules

Xiao‐Hong Li, Xian-zhou Zhang, Rui-Zhou Zhang, 2009 .

Computational DFT studies on a series of toluene derivatives as potential high energy density compounds

Xiao‐Hong Li, Xian-zhou Zhang, Z. Fu, 2012, Structural Chemistry.

Development of active and stable nickel-magnesia solid solution catalysts for CO2 reforming of methane

K. Tomishige, K. Fujimoto, Xiao‐Hong Li, 1998 .

Ethylbenzene Dehydrogenation with CO2 over V2O5-Fe2O3/Al2O3-TiO2 Catalyst

Jie Feng, Xiao‐Hong Li, Q. Wang, 2012 .

Chemical Structure and Thermochemical Properties of Enzymatically Acidolyzed Lignins from Soft and Hard Wood

Xiao‐Hong Li, Shubin Wu, Ji-biao Li, 2013 .

Chemical Structure and Pyrolysis Characteristics of the Soda-Alkali Lignin Fractions

Xiao‐Hong Li, Shubin Wu, 2014 .

Catalytic upgrading of coal pyrolysis products over bio-char

Wenying Li, Jie Feng, Xiao‐Hong Li, 2018, Fuel Processing Technology.

Comparison of the oxidative pyrolysis behaviors of black liquor solids, alkali lignin and enzymatic hydrolysis/mild acidolysis lignin

Xiao‐Hong Li, Shubin Wu, Hao Cheng, 2015 .

First-principles calculations of the effect of Ge content on the electronic, mechanical and acoustic properties of Li17Si4-xGex

Xiao‐Hong Li, Hong‐ling Cui, Rui-Zhou Zhang, 2019, Current Applied Physics.

Natural Bond Orbital (NBO) Population Study of Some Para-Substituted N-Methyl-N-nitrosobenzenesulfonamide Biological Molecules in MeCN Solution

Xiao‐Hong Li, Xiang-dong Yang, Xian-zhou Zhang, 2013, Journal of Solution Chemistry.

N-NO2 bond dissociation energies in acetonitrile: an assessment of contemporary computational methods.

Xiao‐Hong Li, Xian-zhou Zhang, Rui-Zhou Zhang, 2013, Journal of molecular graphics & modelling.

Promoting effect of Fe in oxidative dehydrogenation of ethylbenzene to styrene with CO2 (I) preparation and performance of Ce1 − xFexO2 catalyst

Wen‐ying Li, Jie Feng, Q. Wang, 2014 .

DFT-PCM Study of the Bond Dissociation Energies of N-nitrosoindole Compounds in Acetonitrile

Xian Zhang, Xiao‐Hong Li, Zhen Guo Li, 2011 .

The solvent and substituent effects on bond dissociation energies of NO-donor molecules containing the N-NO bond

Xiao‐Hong Li, Xian-zhou Zhang, Weibing Li, 2010 .

PCM study of the solvent and substituent effects on bond dissociation energies of the CNO bond

Xiao‐Hong Li, Xiang-dong Yang, Zheng-Xin Tang, 2009 .

Oxidized Low-Density Lipoprotein Inhibits THP-1-Derived Macrophage Autophagy via TET2 Down-regulation

Zhisheng Jiang, Zuo Wang, Xiao‐Hong Li, 2015, Lipids.

First-principle study on the structural, elastic and electronic properties of CrB4 hard material under different pressures

Xiao‐Hong Li, Rui-Zhou Zhang, 2017 .

The influence of different functional groups on quantum capacitance, electronic and optical properties of Hf2C MXene

Xiao‐Hong Li, Ming-Zhu Liu, Hong‐ling Cui, 2022, Applied Surface Science.

THEORETICAL STUDIES ON BOND DISSOCIATION ENERGIES FOR SOME THIOL COMPOUNDS BY DENSITRY FUNCTIONAL THEORY AND CBS-Q METHOD

Xinlu Cheng, A. Jalbout, Xiao‐Hong Li, 2008 .

PCM study of the solvent and substituent effects on bond dissociation energies in O-nitrosyl carboxylate compounds

Xinlu Cheng, Xiao‐Hong Li, Xiang-dong Yang, 2007 .

Theoretical study on the structures and properties of LiC n , LiC n + , and LiC n - ( n = 1–10) clusters

Chaoyang Wang, Xiao‐Hong Li, Guozheng Ma, 2009 .

The Schistosome Oesophageal Gland: Initiator of Blood Processing

Xiao‐Hong Li, R. DeMarco, R. Wilson, 2013, PLoS neglected tropical diseases.

QSAR study on fluoroquinolones as antibacterial agents active for Pseudomonas aeruginosa

Xiao‐Hong Li, Xiang-dong Yang, Rui-Zhou Zhang, 2010 .

The Characteristic of Macromolecule Heavy Metal Flocculant and Trapping CSAX of Hg²+ from Aqueous Solutions

Xiao‐Hong Li, Q. Chang, Xue-kui Hao, 2017 .

Reactivity and characterization of adsorbed oxygen on SrTi1-xMgxO3-δ catalysts for oxidative coupling of methane

K. Tomishige, K. Fujimoto, Xiao‐Hong Li, 1999 .

Oxidation of methane by adsorbed and bulk oxygen species of perovskite oxide with ion defects

K. Tomishige, K. Fujimoto, Xiao‐Hong Li, 1997 .

Oxidative coupling of methane by water

K. Tomishige, K. Fujimoto, Xiao‐Hong Li, 1997 .

Oxidative coupling of methane by water as the oxidant on perovskite oxide catalysts

K. Tomishige, K. Fujimoto, Xiao‐Hong Li, 1996 .

Low Temperature Oxidative Coupling of Methane by Perovskite Oxide

K. Fujimoto, Xiao‐Hong Li, 1994 .

Removal of Nitrophenols by Adsorption Using β-Cyclodextrin Modified Zeolites

Xiao‐Hong Li, K. Zhu, Xue-kui Hao, 2011 .

Structural, optical, and thermal properties of MAX-phase Cr2AlB2

Xiao‐Hong Li, Hong‐ling Cui, Rui-Zhou Zhang, 2017, Frontiers of Physics.

Influence of N-doped concentration on the electronic properties and quantum capacitance of Hf2CO2 MXene

Xiao‐Hong Li, Hong‐ling Cui, Rui-Zhou Zhang, 2023, Vacuum.

Role of CO 2 in the oxy-dehydrogenation of ethylbenzene to styrene on the CeO 2 (111) surface

Wen‐ying Li, Jie Feng, Q. Ge, 2018 .

Ethylbenzene dehydrogenation to styrene with CO2 over V2O5(001): A periodic density functional theory study

Wen‐ying Li, K. Xie, Jie Feng, 2015 .

Molecular structure and vibrational spectra of three substituted 4-thioflavones by density functional theory and ab initio Hartree-Fock calculations.

Xiao‐Hong Li, Xiao-Hong Li, Xiang-Ru Liu, 2011, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Molecular structure and vibrational spectra of phenobaraitone by density functional theory and ab initio hartree-Fock calculations

Xiao‐Hong Li, Xian-zhou Zhang, Rui-Zhou Zhang, 2011 .

Computational study of the vibrational spectroscopic studies, natural bond orbital, frontier molecular orbital and second-order non-linear optical properties of acetophenone thiosemicarbazone molecule.

Xiao‐Hong Li, Xian-zhou Zhang, Z. Mei, 2014, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

THEORETICAL STUDIES ON HEATS OF FORMATION OF PYRIDINE N-OXIDES USING DENSITY FUNCTIONAL THEORY AND COMPLETE BASIS METHOD

Xiao‐Hong Li, Xiao-hong Li, Xian-zhou Zhang, 2009 .

Study of the electronic, bonding, elastic and acoustic properties of covellite via first principles

Xiao‐Hong Li, Hong‐ling Cui, Guangxing Ji, 2017 .

The spectroscopic, NMR analysis of 2-Dicyanovinyl-5-(4-methoxyphenyl)thiophene by density functional method.

Xiao‐Hong Li, Xian-zhou Zhang, 2013, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Purification of thorium by precipitation

Xiao‐Hong Li, Guo-long Guo, Dan-dan Yang, 2021, Journal of Radioanalytical and Nuclear Chemistry.

Synthesis, characterization, and properties of polymeric flocculant with the function of trapping heavy metal ions

Xiao‐Hong Li, Q. Chang, Xue-kui Hao, 2009 .

Molecular structure, vibrational spectra, NBO analysis and molecular packing prediction of 3-nitroacetanilide by ab initio HF and density functional theory.

Xiao‐Hong Li, Weiwei Ju, Y. Yong, 2014, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Molecular structure and vibrational spectra of Benzophenone hydrazone molecule by density functional theory

Xiao‐Hong Li, Xian-zhou Zhang, X. Gong, 2011 .

Observation of the first hydration layer of isolated cations and anions through the FTIR-ATR difference spectra.

Xiao‐Hong Li, Yun‐Hong Zhang, Li-Jun Zhao, 2005, The journal of physical chemistry. A.

Structure-Activity Relationship of Fluoroquinolones Against K. pneumoniae

Xinlu Cheng, Xiao‐Hong Li, Xiang-dong Yang, 2007 .

Development of ultra-stable Ni catalysts for CO2 reforming of methane

K. Tomishige, K. Fujimoto, Xiao‐Hong Li, 1998 .

Calcination temperature effect on the adsorption and hydrogenated dissociation of CO2 over the NiO/MgO catalyst

Wenying Li, Jie Feng, Xiao‐Hong Li, 2013 .

(Mn,Co)3O4 spinel coatings on ferritic stainless steels for SOFC interconnect applications

Z. Yang, Guanguang Xia, J. Stevenson, 2007 .

Magnesium sulfate aerosols studied by FTIR spectroscopy: hygroscopic properties, supersaturated structures, and implications for seawater aerosols.

Li-Jun Zhao, Xiao‐Hong Li, Yun‐Hong Zhang, 2006, The journal of physical chemistry. A.

Dehydrogenation of ethylbenzene with CO2 over V2O5/Al2O3–ZrO2 catalyst

Wenying Li, Xiao‐Hong Li, Jie-ying Jing, 2013 .

Product distribution and interactive mechanism during co-pyrolysis of a subbituminous coal and its direct liquefaction residue

Wen‐ying Li, Jie Feng, Xiao‐Hong Li, 2017 .

The interaction between the char solid heat carrier and the volatiles during low-rank coal pyrolysis

Wen‐ying Li, Jie Feng, Xiao‐Hong Li, 2018, Journal of Analytical and Applied Pyrolysis.

Products analysis of Shendong long-flame coal hydropyrolysis with iron-based catalysts

Wenying Li, Jie Feng, Xiao‐Hong Li, 2015 .

Structural, optical, and thermal properties of MAX-phase Cr2AlB2

Xiao‐Hong Li, Hong‐ling Cui, Rui-Zhou Zhang, 2017, Frontiers of Physics.

Development of Catalyst-Membrane System for Oxidative Coupling of Methane by Water.

K. Tomishige, K. Fujimoto, Xiao‐Hong Li, 1999 .

The dehydrogenation of ethylbenzene with CO2 over CexZr1 − xO2 solid solutions

Wen‐ying Li, Jie Feng, Xiao‐Hong Li, 2015 .

Vibrational and dielectric properties and ideal strength of Si2N2O ceramic from first principles

Xiao‐Hong Li, Hong‐ling Cui, Guangxing Ji, 2017 .

Quantum capacitance of supercapacitor electrodes based on the F-functionalized M2C MXenes: A first-principles study

Xiao‐Hong Li, Ming-Zhu Liu, Hong‐ling Cui, 2022, Vacuum.

DFT Computation of quantum capacitance of transition-metals and vacancy doped Sc2CF2 MXene for supercapacitor applications

Xiao‐Hong Li, Hong‐ling Cui, Rui-Zhou Zhang, 2021, Journal of Molecular Liquids.

Strain-tunable electronic and optical properties of Zr2CO2 MXene and MoSe2 van der Waals heterojunction: A first principles calculation

Xiao‐Hong Li, Hong‐ling Cui, Rui-Zhou Zhang, 2021 .

Pressure-Induced Modulation of Electronic and Optical Properties of Surface O-Functionalized Ti2C MXene

Xiao‐Hong Li, Hong‐ling Cui, Rui-Zhou Zhang, 2020, ACS omega.

Molecular structure, IR spectra of 2-mercaptobenzothiazole and 2-mercaptobenzoxazole by density functional theory and ab initio Hartree-Fock calculations.

Xiao‐Hong Li, Xian-zhou Zhang, Zheng-Xin Tang, 2009, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

PCM Study of Some N-Nitroso-N′,N′-dimethylphenylurea Biological Molecules: A Natural Bond Orbital Analysis

Xiao‐Hong Li, Xian-zhou Zhang, Rui-Zhou Zhang, 2012, Journal of Solution Chemistry.

Temperature Impact on the Hydrothermal Depolymerization of Cunninghamia lanceolata Enzymatic/Mild Acidolysis Lignin in Subcritical Water

Xiao‐Hong Li, Shubin Wu, You-ming Li, 2015 .

Co-pyrolysis of lignite and Shendong coal direct liquefaction residue

Wenying Li, Jie Feng, Qun Yi, 2015 .

Acid pretreatment effect on oxygen migration during lignite pyrolysis

Wenying Li, Jie Feng, Xiao‐Hong Li, 2020 .

Properties of semi-coke from co-pyrolysis of lignite and direct liquefaction residue of Shendong coal

Wen‐ying Li, Xiao‐Hong Li, Jiang-shan Ma, 2015 .

Raman observation of the interactions between NH4+, SO4(2-), and H2O in supersaturated (NH4)2SO4 droplets.

Xiao‐Hong Li, Yun‐Hong Zhang, Xin Guo, 2007, The journal of physical chemistry. B.

Titanate Nanotubes Decorated Graphene Oxide Nanocomposites: Preparation, Flame Retardancy, and Photodegradation

Zhi-Jun Zhang, Xiao‐Hong Li, Zhiwei Li, 2017, Nanoscale Research Letters.

Co-pyrolysis performance of coal and its direct coal liquefaction residue with solid heat carrier

Wenying Li, Jie Feng, Xiao‐Hong Li, 2017 .

Theoretical screening of bistriazole-derived energetic salts with high energetic properties and low sensitivity

X. Ju, Xiao‐Hong Li, Cong Zhang, 2019, RSC advances.

The heats of formation in a series of nitroester energetic compounds: a theoretical study.

Xiao‐Hong Li, Xiang-dong Yang, Xian-zhou Zhang, 2009, Journal of hazardous materials.

Theoretical studies on nitrogen‐rich furoxan‐based heterocyclic derivatives

Xiao‐Hong Li, Weiwei Ju, Rui-Zhou Zhang, 2017 .

The oxygen evolution during pyrolysis of HunlunBuir lignite under different heating modes

Wenying Li, Jie Feng, Xiao‐Hong Li, 2017 .

Computational investigation on a series of heteroaromatic nitrogen-rich compounds

Xiao‐Hong Li, Y. Yong, Xian-zhou Zhang, 2016, Journal of the Iranian Chemical Society.

Theoretical studies of 1,2,4,5-tetrazine-based energetic nitrogen-rich compounds

Xiao‐Hong Li, Xian-zhou Zhang, Rui-Zhou Zhang, 2013, Structural Chemistry.

Biaxial strain tunable electronic properties, photocatalytic properties and quantum capacitance of Sc2CO2 MXenes

Xiao‐Hong Li, Hong‐ling Cui, Rui-Zhou Zhang, 2023, Vacuum.

Exotic d0 magnetism in partial hydrogenated silicene

Xiao‐Hong Li, Zhiwei Hou, Hong‐ling Cui, 2016 .

First-principles study of structural, electronic and magnetic properties of transition metal doped Sc2CF2 MXene

Xiao‐Hong Li, Hong‐ling Cui, Rui-Zhou Zhang, 2022, Applied Surface Science.

Effect of coexistence of vacancy and strain on the electronic properties of NH3 adsorption on the Hf2CO2 MXene from first-principles calculations

Xiao‐Hong Li, Hong‐ling Cui, Rui-Zhou Zhang, 2022, Vacuum.

Effect of the biaxial strain on the electronic structure, quantum capacitance of NH3 adsorption on pristine Hf2CO2 MXene using first-principles calculations

Xiao‐Hong Li, Hong‐ling Cui, Rui-Zhou Zhang, 2021, Applied Surface Science.

Density functional theory study on (Mg(BH4))n (n = 1–4) clusters as a material for hydrogen storage

X. Ju, Xiao‐Hong Li, 2013 .

Influence of C-vacancy-line defect on electronic and optical properties and quantum capacitance of Ti2CO2 MXene: A first-principles study

X. Tan, Xiao‐Hong Li, Ming-Zhu Liu, 2023, Journal of Physics and Chemistry of Solids.

Effect of preheating treatment on oxygen migration during lignite pyrolysis

Wen‐ying Li, Jie Feng, Xiao‐Hong Li, 2019, Journal of Fuel Chemistry and Technology.

Density functional studies of small silicon clusters adsorbed on graphene

Xiao‐Hong Li, Y. Yong, Hong‐ling Cui, 2015 .

Molecular Dynamic Simulation of Melting Points of Trans-1,4,5,8-tetranitro-1,4,5,8-tetraazadacalin (TNAD) with Some Propellants

X. Ju, Xiao‐Hong Li, 2014 .

Quantum-chemical studies of the structure and performance properties of 5-(1,2,4-triazol-C-yl)tetrazol-1-ols

Xiao‐Hong Li, Y. Yong, Hong‐ling Cui, 2015, Chemistry of Heterocyclic Compounds.

Coherent population transfer in four-level ladder systems by single frequency-chirped laser pulse

Xiao‐Hong Li, Xian-zhou Zhang, Rui-Zhou Zhang, 2009 .

PCM Study of Bond Dissociation Energies of the S–NO Bond: A DFT Study

Xiao‐Hong Li, Xian-zhou Zhang, Hong‐ling Cui, 2013, Journal of Solution Chemistry.

Theoretical investigation of electronic, bonding and optical properties of nanolaminated boride WAlB

Xiao‐Hong Li, Y. Yong, Hong‐ling Cui, 2018, Materials Chemistry and Physics.

First principles study of the vibrational, dielectric and thermal properties of SrClF

Xiao‐Hong Li, Hong‐ling Cui, Guangxing Ji, 2017 .

Electronic, elastic, lattice dynamic and thermal conductivity properties of Na3OBr via first principles

Xiao‐Hong Li, Hong‐ling Cui, Guangxing Ji, 2017 .

Ab initio study of the structural, electronic, elastic and thermal conductivity properties of SrClF with pressure effects

Xiao‐Hong Li, Hong‐ling Cui, Guangxing Ji, 2017 .

Theoretical insight into the electronic, optical, and photocatalytic properties and quantum capacitance of Sc2CT2 (T=F, P, Cl, Se, Br, O, Si, S, OH) MXenes

Xiao‐Hong Li, Hong‐ling Cui, Rui-Zhou Zhang, 2022, Vacuum.

First-principles study on the effect of atomic swap on the electronic properties and quantum capacitance of Sc2CF2 monolayer

Xiao‐Hong Li, Hong‐ling Cui, Rui-Zhou Zhang, 2022, Vacuum.

Supercritical and near-critical Fischer-Tropsch synthesis: Effects of solvents

Kaoru Fujimoto, K. Fujimoto, Xiao‐Hong Li, 2007 .

Density functional theory calculation for the electronic properties and quantum capacitance of pure and doped Zr 2 CO 2 as electrode of supercapacitors

Xiao‐Hong Li, Hong‐ling Cui, Shuo Xu, 2021, International Journal of Quantum Chemistry.

Influence of O-vacancy concentration on the structural, electronic properties and quantum capacitance of monolayer Ti2CO2: A first-principles study

Xiao‐Hong Li, Rong Guo, Hong‐ling Cui, 2021, Vacuum.

Effect of atomic vacancy on the electronic and optical properties, quantum capacitance of Zr2CO2-based electrodes

Xiao‐Hong Li, Haoran Jia, Hong‐ling Cui, 2021 .

The effect of vacancy defect on quantum capacitance, electronic and magnetic properties of Sc 2 CF 2 monolayer

Xiao‐Hong Li, Hong‐ling Cui, Shanxin Li, 2021 .

Theoretical study on the structural, mechanical, electronic properties and QTAIM of CrB 4 as a hard material

Xiao‐Hong Li, Hong‐ling Cui, Rui-Zhou Zhang, 2017 .

Supported Vanadia Catalysts for Dehydrogenation of Ethylbenzene with CO2

Wenying Li, K. Xie, Xiao‐Hong Li, 2005 .

Molecular events in deliquescence and efflorescence phase transitions of sodium nitrate particles studied by Fourier transform infrared attenuated total reflection spectroscopy.

G. Lu, Xiao‐Hong Li, Wen-xue Li, 2008, The Journal of chemical physics.

First-principles study of biaxial strain effect on NH3 adsorbed Ti2CO2 monolayer

Xiao‐Hong Li, Hong‐ling Cui, Rui-Zhou Zhang, 2020 .

Effect of the normal compressive strain and electric filed on the electronic and optical properties of Zr2CO2 MXene and MoSe2 van der Waals Heterojunction: A first principles calculation

Xiao‐Hong Li, Hong‐ling Cui, Rui-Zhou Zhang, 2021 .

Theoretical study of the elasticity, ideal strength and thermal conductivity of a pure sp2 carbon

Xiao‐Hong Li, Hong‐ling Cui, Guangxing Ji, 2017 .

First-principles study of electronic, optical properties, workfunction and quantum capacitance of Janus Hf2COT MXene

Xiao‐Hong Li, Hong‐ling Cui, Rui-Zhou Zhang, 2023, Vacuum.

Biaxial strain tunable quantum capacitance and photocatalytic properties of Hf2CO2 monolayer

Xiao‐Hong Li, Hong‐ling Cui, Rui-Zhou Zhang, 2023, Applied Surface Science.

Computational study of intrinsic defects on the electronic properties and quantum capacitance of Sc2CF2 monolayer

Xiao‐Hong Li, Hong‐ling Cui, Rui-Zhou Zhang, 2022, Surfaces and Interfaces.

Analysis of Structural Units and Their Influence on Thermal Degradation of Alkali Lignins

Xiao‐Hong Li, Shubin Wu, Chao Liu, 2016 .

External Electric Field-Induced the Modulation of the Band Gap and Quantum Capacitance of F-Functionalized Two-Dimensional Sc2C

Xiao‐Hong Li, Hong‐ling Cui, Rui-Zhou Zhang, 2023, ACS Omega.

First-principles calculations of the structural, mechanical, electronic and bonding properties of (CrB2)n CrAl with n = 1, 2, 3

D. Salahub, Xiao‐Hong Li, Maurício Chagas da Silva, 2017 .

Quantum capacitance of supercapacitor electrodes based on M2C MXenes with pure -O and mixed termination: A first-principles study

Xiao‐Hong Li, Hong‐ling Cui, Rui-Zhou Zhang, 2023, Journal of Electroanalytical Chemistry.

Theoretical Investigation on the Structure, Detonation Performance and Pyrolysis Mechanism of 4,6,8-Trinitro-4,5,7,8-tetrahydro -6H-furazano(3,4-f )-1,3,5-triazepine

Xiao‐Hong Li, Xian-zhou Zhang, Rui-Zhou Zhang, 2014 .

DFT studies on a high-energy density cage compound 1, 3, 5, 7, 9, 11-hexo(N(CH3)NO2)-2, 4, 6, 8, 10, 12-hexaazatetracyclo[5, 5, 0, 0, 0] dodecane

Xiao‐Hong Li, Y. Yong, Xian-zhou Zhang, 2014 .

Tunable electronic properties, migration mechanism and quantum capacitance of Zr2CO2 monolayer by electric filed effects

Xiao‐Hong Li, Hong‐ling Cui, Hai-Tao Yan, 2023, Materials Today Communications.

Strain-Induced Band Modulation, Work Function, and QTAIM Analysis of Surface O-Functionalized Ti2C MXene

Xiao‐Hong Li, Hong‐ling Cui, Rui-Zhou Zhang, 2020, ACS omega.

Confocal Raman studies of Mg(NO3)2 aerosol particles deposited on a quartz substrate: supersaturated structures and complicated phase transitions.

Li-Jun Zhao, Xiao‐Hong Li, Yun-Hong Zhang, 2008, The journal of physical chemistry. B.

First-principles calculations of the electronic, optical properties and quantum capacitance of Mn doped Sc2CO2 monolayer under biaxial strain

Xiao‐Hong Li, Hong‐ling Cui, Rui-Zhou Zhang, 2023, Journal of Energy Storage.

Strain engineering of electronic properties, quantum capacitance, and photocatalytic properties of Zr2CO2 MXene

Hao Zhang, Xiao‐Hong Li, Hong‐ling Cui, 2023, Molecular Catalysis.

Vacancy-induced structural, electronic and optical properties of Hf2CO2 MXene

Xiao‐Hong Li, Hong‐ling Cui, Rui-Zhou Zhang, 2021, Journal of Physics and Chemistry of Solids.

Quantum Chemical Studies on Structure and Detonation Performance of Bis(2,2-dinitropropyl ethylene)formal

Xiao‐Hong Li, Shuxin Yan, 2014 .

Drawing Out the Structural Information About the First Hydration Layer of the Isolated Cl− Anion Through the FTIR-ATR Difference Spectra

Xiao‐Hong Li, Yu-Cong Guo, Yun-hong Zhang, 2013, Journal of Solution Chemistry.

Strain‐tunable electronic properties and optical properties of Hf 2 CO 2 MXene

Xiao‐Hong Li, Hong‐ling Cui, Rui-Zhou Zhang, 2020 .

Electronic, optical and thermal properties of Cr 3 AlB 4 by first-principles calculations

Xiao‐Hong Li, Rui-Zhou Zhang, Hong-Ling Cui, 2017 .