Likai Yan

发表

Multielectron transportation of polyoxometalate-grafted metalloporphyrin coordination frameworks for selective CO2-to-CH4 photoconversion

Jiang Liu, Y. Lan, Qing Huang, 2019, National science review.

Electronic Structures of 5d Transition Metal Monoxides by Density Functional Theory

Z. Su, Wei Guan, Likai Yan, 2006 .

Structure and Frontier Molecular Orbital (FMO) energies of α-Keggin-type polyoxometalate [PW12O40]3−: A systematical study with different functionals of density functional theory

Z. Su, Likai Yan, Hanni Wu, 2016 .

Ag(I)-mediated formation of a 2D cyano-bridged multinuclear silver(I) alkynyl network coupled with the C–C bond cleavage of acetonitrile

Z. Su, Likai Yan, C. Qin, 2014 .

Evidence of two-state reactivity in water oxidation catalyzed by polyoxometalate-based complex [Mn3(H2O)3(SbW9O33)2]12−

Z. Su, Wei Guan, Likai Yan, 2019, Journal of Catalysis.

Two-State Reactivity Mechanism of Benzene C-C Activation by Trinuclear Titanium Hydride.

Z. Su, Wei Guan, Likai Yan, 2016, Journal of the American Chemical Society.

DFT characterization on the mechanism of sulfoxidation with H2O2 catalyzed by tetranuclear peroxotungstates [XO4{WO(O2)2}4](n-) (X = Si(IV), P(V), S(VI), As(V), and Se(VI)).

Z. Su, Wei Guan, Likai Yan, 2015, Dalton transactions.

Three novel 3D (3,8)-connected metal–organic frameworks constructed from flexible-rigid mixed ligands

Z. Su, Y. Lan, Likai Yan, 2009 .

Two new octamolybdate-based metal–organic polymers: Structures, semiconducting and photoluminescent properties

Z. Su, Y. Lan, Likai Yan, 2009 .

Syntheses and characterizations of five coordination polymers constructed by 3,5-bis(pyridin-3-ylmethoxy)benzoic acid ligand

Z. Su, Y. Lan, Likai Yan, 2009 .

A novel luminescent 3D metal–organic framework possessing 4-fold interpenetrating (3,4)-connected net

Z. Su, Likai Yan, Kuizhan Shao, 2009 .

Theoretical interpretation of different nanotube morphologies among Group III (B, Al, Ga) nitrides

Z. Su, Rongshun Wang, Likai Yan, 2005 .

Hydroxyl decorated g-C3N4 nanoparticles with narrowed bandgap for high efficient photocatalyst design

Haizhu Sun, Bai Yang, Zhenhui Kang, 2019, Applied Catalysis B: Environmental.

Chiral polyoxometalate-based materials: From design syntheses to functional applications

E. Wang, Z. Su, Shunli Li, 2013 .

Theoretical investigation of second-order nonlinear optical response by linking hexamolybdate with graphene in the donor–acceptor (D–A) framework

Z. Su, Likai Yan, Ting Zhang, 2013 .

A Quantum Chemical Study of the Structure, Bonding Characteristics and Nonlinear Optical Properties of Aryloxido and Salicylaldehydo Derivatives of [XW5O18]3― (X = Zr or Ti)

Z. Su, Likai Yan, J. Zhuang, 2009 .

The influence of M…M attraction on nonlinear optical properties of (XMPH3)2 (X = F, Cl; and M = Au, Ag and Cu): A theoretical study

Z. Su, Rongshun Wang, Guochun Yang, 2009 .

How do transition-metal-substituted POMs modify the photoanode of dye-sensitized solar cells? A DFT study

Z. Su, Wei Guan, Likai Yan, 2019, Inorganic Chemistry Frontiers.

Theoretical Studies on Metalloporphyrin–Polyoxometalates Hybrid Complexes for Dye-Sensitized Solar Cells

Z. Su, Likai Yan, Ting Zhang, 2014 .

A hexanuclear cobalt metal–organic framework for efficient CO2 reduction under visible light

Z. Su, Qi Wang, Likai Yan, 2017 .

Orthogonal reactivity of Ni(i)/Pd(0) dual catalysts for Ullmann C-C cross-coupling: theoretical insight.

Z. Su, Likai Yan, Bo Zhu, 2018, Chemical communications.

Theoretical studies on tricarbonyl metal derivatives of Lindqvist-type polyoxometalate complexes: electronic structures and nonlinear optical properties

Z. Su, Likai Yan, Ting Zhang, 2015 .

TDDFT studies on the determination of the absolute configurations and chiroptical properties of Strandberg-type polyoxometalates.

Z. Su, Likai Yan, Nana Ma, 2013, The journal of physical chemistry. A.

IrIII/NiII-Metallaphotoredox catalysis: the oxidation state modulation mechanism versus the radical mechanism.

Z. Su, Likai Yan, Y. Geng, 2018, Chemical communications.

Theoretical studies on organoimido-substituted hexamolybdates dyes for dye-sensitized solar cells (DSSC)

Z. Su, Likai Yan, Jing Wang, 2013 .

Unveiling the relative stability and proton binding of non-classical Wells-Dawson isomers of [(NaF6)W18O54(OH)2]7- and [(SbO6)W18O54(OH)2]9-: a DFT study.

Likai Yan, Xian‐Ming Zhang, Ruxin Yao, 2017, Dalton transactions.

A Rational Design for Dye Sensitizer: Density Functional Theory Study on the Electronic Absorption Spectra of Organoimido-Substituted Hexamolybdates

Z. Su, Shan Cong, Likai Yan, 2013 .

TDDFT studies on electronic structures, chiroptical properties and solvent effect on the CD spectra of diphosphonate-functionalized polyoxomolybdates.

Z. Su, Likai Yan, Nana Ma, 2013, Journal of molecular graphics & modelling.

Theoretical exploration to the substituting effect on second-order nonlinear optical properties for lacunary γ-Keggin polyoxometalates

Z. Su, Likai Yan, Nana Ma, 2013 .

Aspects of the Nonlinear Optical Properties as a Guide to Protonation Sites: A Theoretical Study upon α-Keggin [SiW12O40]4− and [SiV3W9O40]7−

Z. Su, Likai Yan, Chan Yao, 2010 .

Length-Dependent Direction-Tunable Charge-Transfer Behavior of Second-Order Optical Nonlinearity in Keggin-Type Organosilicone Derivative [PW11O39(RSi)2O]3−: A TDDFT Study

Z. Su, Likai Yan, Chan Yao, 2010 .

A DFT Study on the Electronic and Redox Properties of [PW11O39(ReN)]n–(n = 3, 4, 5) and [PW11O39(OsN)]2–

Z. Su, Likai Yan, Shaoqing Shi, 2006 .

Synthesis, crystal structure and quantum study of organoammonium polyoxomolybdate with one-dimension chain containing face-shared molybdenum-oxygen octahedra

Kun Liu, Likai Yan, Xiang Hao, 2006 .

Control of interpenetration in S-containing metal-organic frameworks for selective separation of transition metal ions.

Z. Su, Y. Lan, Likai Yan, 2013, Chemical communications.

Step-wise synthesis of inorganic-organic hybrid based on γ-octamolybdate-based tectons.

Z. Su, Shunli Li, Y. Lan, 2011, Dalton transactions.

Secondary ligand-directed assembly of ZnII and CdII coordination architectures: From 1D to 3D compounds based on pyridine carboxylate ligands

Z. Su, Y. Lan, Likai Yan, 2010 .

A series of POM-based entangled frameworks with the rigid ligand 1,4-bis(1-imidazolyl)benzene and different isomers of octamolybdate

Z. Su, Shunli Li, Y. Lan, 2011 .

The interesting luminescence behavior and rare nonlinear optical properties of the {Ag55Mo6} nanocluster

Z. Su, Likai Yan, Y. Geng, 2021, RSC advances.

Crystal and Electronic Structure of a Protonated Imidazole Diphosphopentamolybdenum(VI) Polyoxometalate: (C4H7N2)4[HP2Mo5O23]EH3OE4.5H2O

Guanghua Li, Likai Yan, Ya-Guang Chen, 2004 .

Electronic structures and nonlinear optical properties of XAuPH3

Z. Su, Rongshun Wang, Likai Yan, 2003 .

Transition-Metal-Modified Vanadoborate Clusters as Stable and Efficient Photocatalysts for CO2 Reduction.

Xiang Yu, Z. Su, Likai Yan, 2021, Inorganic chemistry.

Construction of a series of 0D, 2D and 3D inorganic–organic hybrid coordination polymers based on octamolybdate and 2-(2-pyridyl)imidazole and its derivative

Z. Su, Y. Lan, Likai Yan, 2010 .

A mixed-valence tin-oxygen cluster containing six peripheral ferrocene units.

Z. Su, Likai Yan, Jin Yang, 2004, Angewandte Chemie.

Theoretical mechanistic study of metallaphotoredox catalysis: C–N cross-coupling via Ni(ii)-mediated σ-bond metathesis

Z. Su, Likai Yan, Y. Geng, 2020 .

Synergistic Mechanistic Study of Nickel(0)/Lewis Acid Catalyzed Cyanoesterification: Effect of Lewis Acid

Z. Su, Likai Yan, Bo Zhu, 2017 .

The origin of the unusual broad and intense visible absorption of tetrathiafulvalene-annulated zinc porphyrazine: a density functional theory study.

Likai Yan, Hai-Bin Li, Shiling Sun, 2012, Journal of molecular graphics & modelling.

Facile assembly of 1D multinuclear Agn (n = 11, 11, 12) alkynyl chains with CF3COO−/CH3COO− as the auxiliary ligand

Z. Su, Likai Yan, C. Qin, 2014 .

Prediction of second-order nonlinear optical properties of Wells–Dawson polyoxometalate derivatives [X–C(CH2O)3P2M′3M15O59]6− (X = NO2, NH2, and CH3, M′ = V and Nb, M = W and Mo)

Z. Su, Shan Cong, Likai Yan, 2014 .

Building blocks and formation thermodynamics of α-Keggin-type [PW12O40]3− anion

Z. Su, Likai Yan, Zhongling Lang, 2012 .

A DFT study on the second-order nonlinear optical properties of the plenary mixed-metal polyoxometalate

Z. Su, Shan Cong, Likai Yan, 2012 .

A theoretical study on the efficient reversible redox-based switching of the second-order polarizabilities of two-dimensional nonlinear optical-active donor-acceptor phenanthroline-hexamolybdate.

Z. Su, Likai Yan, Chan Yao, 2010, Journal of molecular graphics & modelling.

Theoretical investigation of electronic properties and redox properties for purely inorganic and aryloxide substituted Ti-containing POM derivatives

Z. Su, Likai Yan, Chan Yao, 2010 .

The comparative investigation on redox property and second-order nonlinear response of Keggin-type α-[PM12O39NPh]3− (M = W and Mo) and Mo6NPh

Z. Su, Likai Yan, Ping Song, 2009 .

Rational synthesis, structural characterization and theoretical exploration on third-order nonlinear optical properties of isolated Agn (n = 5, 8, 12) alkynyl clusters

Z. Su, Hai-Ning Wang, Likai Yan, 2015 .

Unexpected 1D self-assembly of carbonate-templated sandwich-like macrocycle-based Ag20S10 luminescent nanoclusters

Z. Su, Likai Yan, C. Qin, 2014 .

Effect of polyoxometalate in organic-inorganic hybrids on charge transfer and absorption spectra towards sensitizers

Z. Su, Likai Yan, Hanni Wu, 2017 .

Exploration of charge transfer and absorption spectra of porphyrin–polyoxometalate hybrids to search for high performance sensitizers

Z. Su, Likai Yan, Hanni Wu, 2015 .

Prediction of second-order optical nonlinearity of porphyrin-metal-polyoxometalate sandwich compounds.

Z. Su, Likai Yan, Chan Yao, 2010, Dalton transactions.

New ionic dinuclear Ir(III) Schiff base complexes with aggregation-induced phosphorescent emission (AIPE).

Z. Su, Likai Yan, Yong Wu, 2014, Chemical communications.

A switchable-selectivity multiple-interface Ni-WC hybrid catalyst for efficient nitroarene reduction

S. Khan, Jing Du, Yuanyuan Ma, 2019, Journal of Catalysis.

Highly efficient hydrogen evolution from seawater by a low-cost and stable CoMoP@C electrocatalyst superior to Pt/C

E. Wang, Yuanyuan Ma, H. Tan, 2017 .

Assembly of a luminescent core-shell nanocluster featuring a Ag34S26 shell and a W6O21(6-) polyoxoanion core.

Z. Su, Likai Yan, C. Qin, 2012, Chemical communications.

An ultrastable {Ag55Mo6} nanocluster with a Ag-centered multishell structure.

Z. Su, Likai Yan, Kuizhan Shao, 2014, Chemical communications.

Self-assembly of an all-thiol-stabilized {Ag₂₈S₂₃} high-nuclearity luminescent nanocluster with a "crab-like" shape.

Z. Su, Likai Yan, C. Qin, 2014, Dalton transactions.

Bonding Interactions between Nitrous Oxide (N2O) and Mono‐Ruthenium Substituted Keggin‐Type Polyoxometalates: Electronic Structures of Ruthenium/N2O Adducts

Z. Su, Likai Yan, Chun-Guan Liu, 2011 .

A Calix[4]resorcinarene-Based [Co12] Coordination Cage for Highly Efficient Cycloaddition of CO2 to Epoxides.

Likai Yan, Jin Yang, Jian‐Fang Ma, 2019, Inorganic chemistry.

Theoretical Insight into the Performance of MnII/III-Monosubstituted Heteropolytungstates as Water Oxidation Catalysts.

Z. Su, Likai Yan, Xiaofang Su, 2019, Inorganic chemistry.

Bonding interactions between sulfur dioxide (SO₂) and mono-ruthenium(II)-substituted Keggin-type polyoxometalates: electronic structures of ruthenium-SO₂ adducts.

Z. Su, Likai Yan, Zhongling Lang, 2014, Physical chemistry chemical physics : PCCP.

DFT characterization on the mechanism of water splitting catalyzed by single-Ru-substituted polyoxometalates.

Z. Su, Likai Yan, Zhongling Lang, 2013, Dalton transactions.

Quantum chemical characterization of the generation of high-valent oxoruthenium species of Keggin type polyoxometalates: electronic structure and bonding features.

Z. Su, Likai Yan, Chun-Guan Liu, 2011, Dalton transactions.

Theoretical studies on nitrido ruthenium (VI) porphyrin and high valent ruthenium nitrido derivatives of Keggin typical polyoxometalate ([PW11O39{Ru(VI)N}]4-): electronic structures and bonding features.

Z. Su, Likai Yan, Ping Song, 2009, Dalton transactions.

Quantum chemical studies on high-valent metal nitrido derivatives of Keggin-type polyoxometalates ([PW11O39{M(VI)N}]4- (M = Ru, Os, Re)): M(VI)-N bonding and electronic structures.

Z. Su, Likai Yan, Chun-Guan Liu, 2009, Inorganic chemistry.

Electronic properties of strandberg anions : A DFT study of [X2Mo5O23]n-, (X = PV, SVI, AsV, SeVI), and [(RP)2Mo5O21]4- (R = H, CH3, C2H5)

Z. Su, Lunyu Qu, Rongshun Wang, 2005 .

Inorganic–organic hybrid compounds based on the co-existence of different isomers or forms of polymolybdate

Z. Su, Shunli Li, Likai Yan, 2010 .

The self-assembly mechanism of the Lindqvist anion [W6O19]2- in aqueous solution: a density functional theory study.

Z. Su, Likai Yan, Zhongling Lang, 2012, Dalton transactions.

Enhanced proton and electron reservoir abilities of polyoxometalate grafted on graphene for high-performance hydrogen evolution

N. Dalal, Suojiang Zhang, Hongbin Cao, 2016 .

DFT studies on the electronic properties of organometallic-polyoxomolybdate anions [Cpn∗Mo6O19−n](2−n)− (n = 1 or 2): Revealing bonding features of Cp∗–Mo

Z. Su, Likai Yan, Jianping Wang, 2011 .

Quantum Chemical Studies of High-Valent Metal Nitrido Derivatives of Keggin-Type Polyoxometalates ([PW11O39{MVIN}]4- (M: Ru, Os, Re)): MVI—N Bonding and Electronic Structures

Z. Su, Likai Yan, Chun-Guan Liu, 2009 .

Electronic properties of polyoxometalate derivatives [(C2B9H11) M'M5O18]n‐ (M' = TiIV, MoVI, WVI; M = MoVI, WVI): Protonation, Electronic Spectra, and Redox Properties

Likai Yan, Nana Ma, Wen-yong Wang, 2016 .

A DFT Study on The Two‐Dimensional Second‐Order Nonlinear Optical (NLO) Response of Terpyridine‐Substituted Hexamolybdates: Physical Insight on 2D Inorganic–Organic Hybrid Functional Materials

M. Iqbal, Z. Su, Likai Yan, 2012 .

A novel organic-inorganic hybrid constructed from the Nyman-type dititanoniobate [Ti2Nb8O28](8-) and copper-organic cations.

Z. Su, Likai Yan, C. Qin, 2014, Dalton transactions.

Quantum chemical investigation on the structure and first hyperpolarizability for N‐substituted [n]cyclacene

Z. Su, Likai Yan, Hong-liang Xu, 2012 .

Density functional study of protonation sites of α‐Keggin isopolyanions

Xiaohong Wang, E. Wang, Z. Su, 2006 .

Theoretical studies on oxidation-switchable second-order nonlinear optical responses of Metallosalen-Keggin polyoxometalate derivatives

Z. Su, Likai Yan, Ting Zhang, 2016 .

Switchable NLO response induced by rotation of metallacarboranes [Ni(III/IV)(C2B9H11)2](-/0) and C-,B-functionalized derivatives.

Z. Su, Likai Yan, Nana Ma, 2014, Dalton transactions.

Theoretical exploration of photoisomerization-switchable second-order nonlinear optical responses of two-dimendional λ- and w-shaped polyoxometalate derivatives of dithienylperfluorocyclopentene.

Z. Su, Likai Yan, Nana Ma, 2013, The journal of physical chemistry. A.

Theoretical studies on the photoisomerization-switchable second-order nonlinear optical responses of DTE-linked polyoxometalate derivatives.

Z. Su, Likai Yan, Nana Ma, 2013, Journal of molecular graphics & modelling.

Theoretical exploration to the cation effect on the second-order nonlinear optical properties of Strandberg-type polyoxometalates

Z. Su, Likai Yan, Ting Zhang, 2015 .

TDDFT studies on chiral organophosphonate substituted divacant Keggin-type polyoxotungstate: diplex multistep-redox-triggered chiroptical and NLO switch.

Z. Su, Likai Yan, Shi-Zheng Wen, 2012, Dalton transactions.

TDDFT studies on the structures and ECD spectra of chiral bisarylimidos bearing different lengths of o-alkoxy chain-substituted polyoxomolybdates.

Z. Su, Likai Yan, Guo Yang, 2012, Journal of molecular graphics & modelling.

Highly efficient hydrogen evolution triggered by a multi-interfacial Ni/WC hybrid electrocatalyst

Kun Feng, Yuanyuan Ma, H. Tan, 2018 .

Theoretical studies on Lindqvist polyoxometalates [M6O19]n− (M = Mo, W, n = 2; M = V, Nb, Ta, n = 8) and derivatives: Electronic structures, stability and bonding

Z. Su, Likai Yan, Xiaofang Su, 2017 .

Theoretical study of the impact factor on redox property and second-order nonlinear response for organoimido derivatives of [Mo6O19]2−: Electron donors with magnitude of conjugated groups or length of conjugated chain

Z. Su, Likai Yan, Chan Yao, 2010 .

Theoretical studies on the chiral polyoxoanions [P2Mo18O62]6− and [PMo9O31(OH2)3]3− with histidine: chiral inversion and chiral induction

Kun Liu, Z. Su, H. Tan, 2018 .

Nucleation mechanisms of molecular oxides: a study of the assembly-dissassembly of [W6O19]2- by theory and mass spectrometry.

L. Cronin, Likai Yan, A. Rodríguez‐Fortea, 2009, Angewandte Chemie.

The structure-property relationship of chiral 1,1'-binaphthyl-based polyoxometalates: TDDFT studies on the static first hyperpolarizabilities and the ECD spectra.

Z. Su, Likai Yan, Shi-Zheng Wen, 2012, Journal of molecular graphics & modelling.

Prediction of remarkably large second-order nonlinear optical properties of organoimido-substituted hexamolybdates.

Z. Su, Likai Yan, J. Zhuang, 2009, The journal of physical chemistry. A.

A highly efficient Z-scheme B-doped g-C3N4/SnS2 photocatalyst for CO2 reduction reaction: a computational study

Yuelin Wang, Likai Yan, Zhongling Lang, 2018 .

Tricopper-polyoxometalate catalysts for water oxidation: Redox-inertness of copper center

Z. Su, Likai Yan, Xiaofang Su, 2020 .

Luminescent compounds diphenylboron analogs of Alq3 and its methyl substituents: A theoretical investigation of their electronic and spectroscopic properties

Rongshun Wang, Y. Teng, Likai Yan, 2005 .

Theoretical Insight into Electrocatalytic Nitrogen Fixation on Transition-Metal Decorated Melon-Based Carbon Nitride

Likai Yan, Yu Tian, Z. Su, 2023, SSRN Electronic Journal.

Theoretical Studies on Electronic Spectra and Second‐order Nonlinear Optical Properties of Glucosyl Substituted Barbituric Acid Derivatives

Z. Su, Likai Yan, Jing-Dong Feng, 2006 .

Electrochemical reduction of carbon dioxide on the two–dimensional M3(Hexaiminotriphenylene)2 sheet: A computational study

Yuelin Wang, Jingxiang Zhao, Z. Su, 2019, Applied Surface Science.

Molecular single iron site catalysts for electrochemical nitrogen fixation under ambient conditions

Gang Wu, Likai Yan, S. Mukherjee, 2021 .

Density functional theory study of single-molecule ferroelectricity in Preyssler-type polyoxometalates

A. Stroppa, C. de Graaf, Likai Yan, 2021 .

Redox-switchable second-order nonlinear optical responses of push-pull monotetrathiafulvalene-metalloporphyrins.

Wei Guan, Zhong-Min Su, Z. Su, 2009, Inorganic chemistry.

DFT Study on Sulfur-Doped g-C3N4 Nanosheets as a Photocatalyst for CO2 Reduction Reaction

Yu Tian, Zhong-Min Su, Yuelin Wang, 2018 .

The electronic and optical properties of carbon nitride derivatives: A first principles study

Yuelin Wang, Z. Su, H. Tan, 2018, Applied Surface Science.

Theoretical investigation of armchair silicene nanoribbons with application in stretchable electronics

Z. Su, Likai Yan, Min Zhang, 2015 .

An unprecedented (3,4,24)-connected heteropolyoxozincate organic framework as heterogeneous crystalline Lewis acid catalyst for biodiesel production

Zhong Sun, Z. Su, Shunli Li, 2013, Scientific Reports.

N-Carbon coated P-W2C composite as efficient electrocatalyst for hydrogen evolution reactions over the whole pH range

H. Tan, Yangguang Li, Likai Yan, 2017 .

Vanadium-substituted polycationic Al-oxo cluster in a porous ionic crystal exhibiting Lewis acidity.

Likai Yan, S. Uchida, Naoki Ogiwara, 2022, Chemical Communications.

Isomeric effects on the acidity of Al13 Keggin clusters in porous ionic crystals.

Likai Yan, S. Uchida, Naoki Ogiwara, 2021, Chemical Communications.

A comparative computational analysis on the photophysical and charge transport properties of three 5,5-bis(2,2-diphenylvinyl)-biheterocyclic compounds

Z. Su, Likai Yan, Y. Geng, 2020, Chemical Physics Letters.

Theoretical investigation of the influence of different electric field directions and strengths on a POM-based dye for dye-sensitized solar cells

Z. Su, Likai Yan, R. Jia, 2021 .

Configuration effect in polyoxometalate-based dyes on the performance of DSSCs: an insight from a theoretical perspective.

Z. Su, Likai Yan, R. Jia, 2020, Physical chemistry chemical physics : PCCP.

POM-based dyes featuring rigidified bithiophene π linkers: potential high-efficiency dyes for dye-sensitized solar cells

Likai Yan, Yanhong Xu, Yu Gao, 2020 .

A theoretical investigation on promising acceptor groups for POM-based dyes: from electronic structure to photovoltaic conversion efficiency

Z. Su, Likai Yan, Yu Gao, 2020 .

Assembly of Keggin-/Dawson-type Polyoxotungstate Clusters with Different Metal Units and SeO32– Heteroanion Templates

E. Wang, Z. Su, Likai Yan, 2014 .

Theoretical design of organic-inorganic hybrids based on hexamolybdate toward high performance dye-sensitized solar cells

Z. Su, Likai Yan, Ting Zhang, 2016 .

Heteroatom-doped C3N as a promising metal-free catalyst for a high-efficiency carbon dioxide reduction reaction

Z. Su, Likai Yan, Tingting Zhao, 2020 .

Theoretical exploration on switchable NLO response induced by photochromic properties of covalently connected unsymmetrical spiropyran–polyoxometalate complex

Z. Su, Likai Yan, Nana Ma, 2014 .

Theoretical study on the considerable second-order nonlinear optical properties of naphthylimido-substituted hexamolybdates.

Z. Su, Likai Yan, J. Zhuang, 2008, The journal of physical chemistry. A.

Two-dimensional π-conjugated metal bis(dithiolene) nanosheets as promising electrocatalysts for carbon dioxide reduction: a computational study

Jingxiang Zhao, Z. Su, Likai Yan, 2019, Journal of Materials Chemistry A.

DFT characterization on the effect of redox-inactive cation Ca2+ on water oxidation by CoII-based cuboidal catalyst

Z. Su, Likai Yan, Xiaofang Su, 2019, Computational and Theoretical Chemistry.

Nanographene−rhenium complex as efficient catalyst for electrochemical reduction: A computational study

Z. Su, Likai Yan, Xiaofang Su, 2020 .

Why Does Disubstituted Hexamolybdate with Arylimido Prefer to Form an Orthogonal Derivative? Analysis of Stability, Bonding Character, and Electronic Properties on Molybdate Derivatives by Density Functional Theory (DFT) Study

E. Wang, Z. Su, Likai Yan, 2004 .

Influence of the central atom on the electronic properties of Lindqvist polyoxometalates

Z. Su, Likai Yan, Shi-Zheng Wen, 2012 .

Theoretical design of organoimido-substituted hexamolybdates with different electron donors for dye-sensitized solar cells

Z. Su, Likai Yan, Zhongling Lang, 2014 .

Effect of Terminations on the Hydrogen Evolution Reaction Mechanism on Ti3C2 MXene

F. Illas, F. Viñes, Likai Yan, 2023, Journal of Materials Chemistry A.

TDDFT studies on the chiroptical properties of a chiral inorganic polythioanion Möbius strip

Z. Su, Likai Yan, Jia-Shu Chi, 2016 .

TDDFT studies on the electronic structures and chiroptical properties of mono-tin-substituted Wells-Dawson polyoxotungstates.

Z. Su, Likai Yan, Jianping Wang, 2012, The journal of physical chemistry. A.

First principle investigation of transport properties of Lindqvist derivatives based molecular junction.

S. Sanvito, Z. Su, Likai Yan, 2012, Journal of molecular graphics & modelling.

Atomic Nb Anchoring on Graphdiyne as a New Potential Electrocatalyst for Nitrogen Fixation: A Computational View

Z. Su, Likai Yan, Zhongling Lang, 2019, Advanced Theory and Simulations.

A theoretical design and investigation on Zn-porphyrin-polyoxometalate hybrids with different π-linkers for searching high performance sensitizers of p-type dye-sensitized solar cells

Z. Su, Likai Yan, Hanni Wu, 2016 .

Control of interpenetration in S-containing metal-organic frameworks for selective separation of transition metal ions.

Z. Su, Y. Lan, Likai Yan, 2013, Chemical communications.

Assembly of a luminescent core-shell nanocluster featuring a Ag34S26 shell and a W6O21(6-) polyoxoanion core.

Z. Su, Likai Yan, C. Qin, 2012, Chemical communications.

Bimetallic–organic MIL-125 frameworks for uric acid detection

Likai Yan, Dong-Ying Du, Ai-Xuan Yu, 2024, Journal of Solid State Chemistry.

TDDFT studies on the electronic structures and chiroptical properties of mono-tin-substituted Wells-Dawson polyoxotungstates.

Z. Su, Likai Yan, Jianping Wang, 2012, The journal of physical chemistry. A.