Likai Yan

发表

On the origin of alternating bond distortions and the emergence of chirality in polyoxometalate anions.

J. Poblet, D. C. Duncan, J. J. Carbó, 2008, Journal of the American Chemical Society.

Ruthenium-based catalysts for water oxidation: the key role of carboxyl groups as proton acceptors.

Wei Guan, Xiaofang Su, Likai Yan, 2020, Physical chemistry chemical physics : PCCP.

Research on a new composite hydrogel inhibitor of tea polyphenols modified with polypropylene and mixed with halloysite nanotubes

Yinghua Zhang, Zhi-an Huang, Yukun Gao, 2019, Fuel.

Prediction of robustly large molecular second-order nonlinear optical properties of terpyridine-substituted hexamolybdates: structural modelling towards a rational entry to NLO materials.

Z. Su, Wei Guan, Muhammad Ramzan Saeed Ashraf Janjua, 2010, Journal of molecular graphics & modelling.

Tuning Second-Order Non-linear (NLO) Optical Response of Organoimido-Substituted Hexamolybdates through Halogens: Quantum Design of Novel Organic-Inorganic Hybrid NLO Materials

Z. Su, Wei Guan, Muhammad Ramzan Saeed Ashraf Janjua, 2010 .

A Quantum Mechanical Study of the Second-Order Nonlinear Optical Properties of Aryldiazenido-Substituted Hexamolybdates: A Surprising Charge Transfer

Z. Su, Wei Guan, Muhammad Ramzan Saeed Ashraf Janjua, 2009 .

New AIE-active dinuclear Ir(III) complexes with reversible piezochromic phosphorescence behaviour.

Z. Su, Weilong Che, Guangfu Li, 2015, Chemical communications.

How Do the Different Defect Structures and Element Substitutions Affect the Nonlinear Optical Properties of Lacunary Keggin Polyoxometalates? A DFT Study

Z. Su, Guochun Yang, Wei Guan, 2006 .

Incorporating highly basic polyoxometalate anions comprising Nb or Ta into nanoscale reaction fields of porous ionic crystals.

S. Uchida, Naoki Ogiwara, Yuji Kikukawa, 2021, Nanoscale.

Anion-specific aggregation induced phosphorescence emission (AIPE) in an ionic iridium complex in aqueous media.

Z. Su, A. Monkman, Xiaojuan Zhu, 2015, Chemical communications.

Exploring the electronic properties and cation complexation of polyoxoaurates [Au(III)4X4Om](n-) (X = Si(IV), P(V), Ge(IV), As(V), and Se(IV)) using quantum chemical calculations.

Zhongmin Su, Ting Zhang, Likai Yan, 2015, Physical chemistry chemical physics : PCCP.

Electronic properties and stabilities of methoxy-substituted Lindqvist polyoxometalates [Nb2W4O19CH3]3− by DFT

Z. Su, Shan Cong, Ping Song, 2012 .

Theoretical investigation of electronic structures and excitation energies of doubly N-confused porphyrin and its group 11 transition metal (III) complexes.

Zhongmin Su, Y. Kan, Yulan Zhu, 2007, The Journal of chemical physics.

Two‐Dimensional Covalent Heptazine‐Based Framework Enables Highly Photocatalytic Performance for Overall Water Splitting

H. Tan, Zhongling Lang, Likai Yan, 2022, Advanced science.

Hollow porous MnFe2O4 sphere grown on elm-money-derived biochar towards energy-saving full water electrolysis.

N. Fan, Yu-qiu Huo, Zhongmin Su, 2020, Chemistry.

Efficient reduction of nitrobenzene to aniline by metal-free B-doped graphdiyne

Likai Yan, Yu Tian, Tingting Zhao, 2022, Colloids and Surfaces A: Physicochemical and Engineering Aspects.

Cooperative enhancement of two-photon absorption cross sections in three-branched oligofluorene with boron center

Z. Su, Guochun Yang, Liang Zhao, 2008 .

Theoretical exploration to second-order nonlinear optical properties of new hybrid complexes via coordination interaction between (metallo)porphyrin and [MSiW11O39](3-) (M=Nb(V) or V(V)) polyoxometalates.

Zhongmin Su, Nana Ma, Ting Zhang, 2013, Journal of molecular graphics & modelling.

An efficient chromium(III)-catalyzed aerobic oxidation of methylarenes in water for the green preparation of corresponding acids.

Yongge Wei, Likai Yan, Shanshan Liu, 2021, Dalton transactions.

Density functional study of magnetic exchange of dinuclear manganese complexes with the heteropolymolyanion: [MnII2(Xn+Mo9O33)2]2(n−10)− (X = PV, AsV, SeVI)

Z. Su, Guochun Yang, Lin Xu, 2008 .

Theoretical study on the tetranuclear endohedral vanadyl carboxylates with guest-switchable redox properties and large polarizability.

Zhongmin Su, Chan Yao, Ping Song, 2010, Dalton transactions.

Theoretical studies on POM-based organic-inorganic hybrids containing double D-A1-π-A2 chains for high-performance p-type, dye-sensitized solar cells (DSSCs).

Zhongmin Su, Jing Wang, Ting Zhang, 2015, Physical chemistry chemical physics : PCCP.

Thermally Activated Delayed Fluorescence in CuI Complexes Originating from Restricted Molecular Vibrations

Z. Su, Y. Geng, Baohua Zhang, 2017, Chemistry.

Mechanistic Investigation into Olefin Epoxidation with H2O2 Catalyzed by Aqua‐Coordinated Sandwich‐Type Polyoxometalates: Role of the Noble Metal and Active Oxygen Position

Hongsheng Liu, Zhongmin Su, Cheng-gang Ci, 2016, ChemistryOpen.

Density functional theory study on a nitrogen-rich carbon nitride material C3N5 as photocatalyst for CO2 reduction to C1 and C2 products.

Yuelin Wang, Y. Morikawa, Likai Yan, 2020, Journal of colloid and interface science.

Theoretical investigation of second-order nonlinear optical response — Hexamolybdate as a superior donor over metal carbonyl complexes in the D–π–A model

Zhongmin Su, Chan Yao, Ping Song, 2011 .

Theoretical investigation on electronic structure and second-order nonlinear optical properties of novel hexamolybdate-organoimido-(car)borane hybrid.

Zhongmin Su, Nana Ma, Y. Qiu, 2012, Physical chemistry chemical physics : PCCP.

Computational modeling of self-trapped electrons in rutile TiO2.

Hanning Chen, Wei Jiang, J. Elenewski, 2015, Physical chemistry chemical physics : PCCP.

Theoretical exploration on switchable NLO response induced by redox properties of polyoxometalates [XNbW11O40]n-/(n+1)- (X = Al, Si, P, S, Ga, Ge, As, Se).

Ting Zhang, Likai Yan, Xuehong Wei, 2018, Journal of molecular graphics & modelling.

Migration of Holstein Polarons in Anatase TiO2.

Hanning Chen, Likai Yan, 2014, Journal of chemical theory and computation.

Carbon Quantum Dot/Silver Nanoparticle/Polyoxometalate Composites as Photocatalysts for Overall Water Splitting in Visible Light

Hui Huang, Di Tang, Zhenhui Kang, 2014 .

Theoretical Insight into Oxidation of Anilines to Azobenzenes Catalyzed by Hexamolybdate: Outer-Sphere Electron and Proton Transfer

Hucheng Zhang, Xiaofang Su, N. Ma, 2023, The Journal of Physical Chemistry C.

Mechanistic insight into photocatalytic CO2 reduction by a Z-scheme g-C3N4/TiO2 heterostructure

Zhongmin Su, Likai Yan, Yu Tian, 2021 .

Theoretical study on the rectifying performance of organoimido derivatives of hexamolybdates.

Guochun Yang, Hai-Bin Li, Zhongmin Su, 2013, Chemphyschem : a European journal of chemical physics and physical chemistry.

Carbon nitride derivatives as photocatalysts for the CO2 reduction reaction: computational study.

Zhongmin Su, Likai Yan, Yu Tian, 2021, Physical chemistry chemical physics : PCCP.

Metal-Free Z-Scheme aza-CMP/C2N Heterostructure to Facilitate Photocatalytic CO2 Reduction: A Computational Study

Zhongmin Su, Likai Yan, Yu Tian, 2021, The Journal of Physical Chemistry C.

Tailoring of Three-Atom Metal Cluster Catalysts for Ammonia Synthesis

Shuo Wang, Ting Zhao, Likai Yan, 2023, Catalysts.

Quantum Chemical Design for Enhanced Second‐Order NLO Response of Terpyridine‐Substituted Hexamolybdates

Z. Su, Muhammad Ramzan Saeed Ashraf Janjua, A. Karim, 2010 .

Reversible redox-switchable second-order optical nonlinearity in polyoxometalate: a quantum chemical study of [PW11O39(ReN)]n- (n = 3-7).

Guochun Yang, Zhongmin Su, Ping Song, 2008, Inorganic chemistry.

Simple and efficient polyoxomolybdate-mediated synthesis of novel graphene and metal nanohybrids for versatile applications.

A. Dolbecq, P. Mialane, Tianbo Liu, 2017, Journal of colloid and interface science.

Electronic properties and stability of dititanium(IV) substituted alpha-Keggin polyoxotungstate with heteroatom phosphorus by DFT.

Z. Su, Min Zhang, Shuxia Liu, 2005, Inorganic chemistry.

Theoretical screening of promising donor and π-linker groups for POM-based Zn-porphyrin dyes in dye-sensitized solar cells.

Likai Yan, Yanhong Xu, Yu Gao, 2019, Physical chemistry chemical physics : PCCP.

The Effect of Dyes with Different π-Linkers on the Overall Performance of P-DSSCs: Lessons from Theory.

Likai Yan, Yu Gao, W. Guan, 2018, The journal of physical chemistry. A.

Theoretical study on the electronic spectrum and the origin of remarkably large third-order nonlinear optical properties of organoimide derivatives of hexamolybdates.

E. Wang, Guochun Yang, Zhongmin Su, 2006, The journal of physical chemistry. B.

The transport properties of silicon and carbon nanotubes at the atomic scale: a first-principles study.

Z. Su, Min Zhang, Chunmei Zhang, 2016, Physical chemistry chemical physics : PCCP.

Metal–free C2N doped with sp2–hybridized B atom as high–efficiency photocatalyst for nitrobenzene reduction reaction: A density functional theory study

Zhongmin Su, Tingting Zhao, Likai Yan, 2022, Molecular Catalysis.

Exploration on Charge Transfer and Absorption Spectra of Spiro[fluorene-9,90-xanthene]-based Polyoxometalate Hybrids Toward High Performance Dye-sensitized Solar Cell

Xiaofang Su, Likai Yan, Shuo Wang, 2018, Chemical Research in Chinese Universities.

Theoretical insights into the catalytic mechanism for the oxygen reduction reaction on M3(hexaiminotriphenylene)2 (M = Ni, Cu).

Wei Chen, Zhongmin Su, Likai Yan, 2018, Physical chemistry chemical physics : PCCP.

Electronic properties of unprecedented bridging organoimido-substituted hexamolybdate: new insights from density functional theory study.

Zhongmin Su, Likai Yan, P. Song, 2010, The journal of physical chemistry. B.

Density functional theory study on the first hyperpolarizabilities of organoimido derivatives of hexamolybdates.

Z. Su, Rongshun Wang, Guochun Yang, 2005, The journal of physical chemistry. B.

Prediction of second-order optical nonlinearity of trisorganotin-substituted beta-Keggin polyoxotungstate.

Z. Su, Guochun Yang, Likai Yan, 2006, Inorganic chemistry.

Theoretical insights into [PMo12O40](3-) grafted on single-walled carbon nanotubes.

Guochun Yang, Zhongmin Su, Nana Ma, 2013, Physical chemistry chemical physics : PCCP.

Theoretical insights into [ PMo 12 O 40 ] 3 grafted on single-walled carbon nanotubes

Guochun Yang, Zhongmin Su, Nana Ma, 2013 .

Theoretical investigation of structural and electronic propertyies of [PW12O40]3- on graphene layer.

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

Mechanistic insight into electroreduction of carbon dioxide on FeNx (x = 0-4) embedded graphene.

Yuelin Wang, Tingting Zhao, Zhongmin Su, 2019, Physical chemistry chemical physics : PCCP.

Theoretical investigation of structural and electronic propertyies of [PW12O40]3- on graphene layer.

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

Development and Performance Study of a New Physicochemical Composite Inhibitor for Coal Spontaneous Combustion Control

Yinghua Zhang, Zhi-an Huang, Jinyang Li, 2021, Combustion Science and Technology.