Hai‐tao Yu

发表

Biocarbon-templated synthesis of porous Ni–Co-O nanocomposites for room-temperature NH3 sensors

K. Kan, K. Shi, M. Ikram, 2018 .

Design, synthesis, crystal structure, insecticidal activity, molecular docking, and QSAR studies of novel N3-substituted imidacloprid derivatives.

Dan Wu, Hai‐tao Yu, Yan Y. Zhang, 2014, Journal of agricultural and food chemistry.

Discovery of novel inhibitors disrupting HIF-1α/von Hippel–Lindau interaction through shape-based screening and cascade docking

Yuan Sun, Hai‐tao Yu, Haopeng Sun, 2016, PeerJ.

A Density Functional Theory Investigation of the Tandem Radical Cyclization of 1-(2-Yl-3-(2-Methoxyphenyl)-prop- 2-enyl)-6-oxo-1,6-dihydropyridine-2-carbonitrile

Hai‐tao Yu, Lang Yuan, 2016 .

Theoretical Studies on Metal–Metal Interaction and Intrinsic 1,3[σ*(d)σ(s/p)] Excited States of Dinuclear d10 Complexes with Bridging Phosphane Ligands

Hong-Xing Zhang, H. Fu, Qingjiang Pan, 2006 .

Hollow and hierarchical Na2Li2Ti6O14 microspheres with high electrochemical performance as anode material for lithium-ion battery

Yan-Rong Zhu, Ying Xie, S. Fan, 2017, Science China Materials.

Preparation and photoelectric performance of ITO/TiO2/CdS composite thin films

H. Fu, Hai‐tao Yu, Yu-juan Chi, 2008 .

Experimental and theoretical evaluation of structures of Pr2@C72 and its functionalized adduct with adamantylidene carbene

Yan-Li Zhao, Y. Lian, Hai‐tao Yu, 2016 .

Theoretical study on the singlet potential energy surface of CHOP system

Zesheng Li, Xuri Huang, Chia-Chung Sun, 2002 .

Surface modification of Li1.2Mn0.54Ni0.13Co0.13O2 via an ionic conductive LiV3O8 as a cathode material for Li-ion batteries

Guo-Xu Zhang, Tingfeng Yi, Ying Xie, 2019, Ionics.

Hollow and hierarchical Li1.2Mn0.54Ni0.13Co0.13O2 micro-cubes as promising cathode materials for lithium ion battery

Tingfeng Yi, Ying Xie, Chenfeng Guo, 2019, Journal of Alloys and Compounds.

Dahurelmusin A, a Hybrid Peptide-Polyketide from Elymus dahuricus Infected by the Epichloë bromicola Endophyte.

Z. Nan, Hai‐tao Yu, K. Gao, 2017, Organic letters.

Theoretical Investigation of Regioselectivity and Stereoselectivity in AIBN/HSnBu3-Mediated Radical Cyclization of N-(2-Iodo-4,6-dimethylphenyl)-N,2-dimethyl-(2E)-butenamide.

Hai‐tao Yu, Hua Zhong, Bai-jian Li, 2016, The journal of physical chemistry. B.

Structures and electronic spectra of [Pt2(P2O5H2)4X2]4− (X = Cl, Br and I): A comparative study of ab initio and density functional theory

Hong-Xing Zhang, H. Fu, Qingjiang Pan, 2007 .

Substituent effect on the structures and luminescence of binuclear Au(I) complexes: An ab initio study

Hong-Xing Zhang, H. Fu, Qingjiang Pan, 2006 .

Electronic structures and spectroscopic properties of mono- and binuclear d(8) complexes: a theoretical exploration on promising phosphorescent materials.

Hong-Xing Zhang, Qingjiang Pan, H. Fu, 2007, The journal of physical chemistry. A.

Theoretical insight into electronic structures and spectroscopic properties of [Pt2(pop)4]4-, [Pt2(pcp)4]4-, and related derivatives (pop = P2O5H2(2-) and pcp = P2O4CH4(2-)).

Hong-Xing Zhang, Qingjiang Pan, H. Fu, 2006, Inorganic chemistry.

Enhanced field-emission properties of buckled α-borophene by means of Li decoration: a first-principles investigation.

L. Qiao, Hai‐tao Yu, B. Zheng, 2018, Physical chemistry chemical physics : PCCP.

Insight into the stability and structural properties of HPS3 isomers from density functional theory computations

Chia-Chung Sun, H. Fu, Hai‐tao Yu, 2004 .

Effect of F Dopant on the Structural Stability, Redox Mechanism, and Electrochemical Performance of Li2MoO3 Cathode Materials

Ying Xie, Chenfeng Guo, Ting-Feng Yi, 2020, Advanced Sustainable Systems.

Li2MoO3 microspheres with excellent electrochemical performances as cathode material for lithium-ion battery

Ying Xie, Chenfeng Guo, Ting-Feng Yi, 2020, Ionics.

Effect of cation doping on the electrochemical properties of Li2MoO3 as a promising cathode material for lithium-ion battery

Xiao-Dong Wang, Yingjun Qiao, Ying Xie, 2020, Ionics.

Urchin-like V2O3/C Hollow Nanosphere Hybrid for High-Capacity and Long-Cycle-Life Lithium Storage

H. Fu, Chungui Tian, Lei Wang, 2017 .

Plasma induced surface coating on carbon nanotube bundles to fabricate natural rubber nanocomposites

Li Liu, Liqun Zhang, Yonglai Lu, 2018 .

Preparation of polydimethylsiloxane‐coated α‐alumina fillers with cold plasma for elastomer thermal interface materials

Liqun Zhang, Yonglai Lu, Wencai Wang, 2012 .

Method and basis set dependence of the energetics and geometries of HC(S)CN+ and HCNCS+

W. Kan, H. Fu, Hai‐tao Yu, 2007 .

Improving the interfacial stability, conductivity, and electrochemical performance of Li2MoO3@g-C3N4 composite as a promising cathode for lithium-ion battery

Ting-Feng Yi, Hai‐tao Yu, Lang Yuan, 2022, Journal of Industrial and Engineering Chemistry.

Two Stemona alkaloids from Stemona sessilifolia (Miq.) Miq.

Shuangyan Zhou, Jianhua Dong, Hai‐tao Yu, 2017 .

Alkenyl Magnesium Compounds: Generation and Synthetic Application.

Z. Xi, Hai‐tao Yu, Wen‐Xiong Zhang, 2018, Chemistry.

Organocopper(III) Spiro Complexes: Synthesis, Structural Characterization, and Redox Transformation.

Z. Xi, Hai‐tao Yu, Wen‐Xiong Zhang, 2017, Journal of the American Chemical Society.

Theoretical investigation on the protonation reactions and products of the stable [N,C,C,S] isomers

Wei Kan, Hai-Tao Yu, Hong-Gang Fu, 2007, J. Comput. Chem..

Cascade cyclization of 1-(2-yl-3-phenylprop-2-enyl)-6-oxo-1,6-dihydropyridine-2-carbonitrile radical: Mechanistic insights from DFT study

Hai‐tao Yu, Lang Yuan, 2014 .

Synthesis, biological activities and structure-activity relationships for new avermectin analogues.

Jian Zhang, Hai‐tao Yu, Yan Y. Zhang, 2016, European journal of medicinal chemistry.

DFT investigation of hydrogen atom-abstraction reactions of NHC-boranes by various carbon-centered radicals: barriers and correlation analyses

Hai‐tao Yu, Lang Yuan, Hui Xu, 2020, RSC advances.

Intramolecular cyclization reaction mechanism and regioselectivities of unsubstituted and benzene-substituted 4-penteniminyl radicals: A DFT investigation

Hai‐tao Yu, Yu-juan Chi, 2013 .

Does the Neophyl-like Rearrangement Play a Decisive Role in Intramolecular Cyclization of Iminyl Radicals? A Combined Quantum Chemistry and Numerical Simulation Investigation of the Cyclization Mechanism and Product Distributions of Bicyclic 2-Allyl-2-methyl-2,3-dihydro-1 H-inden-1-iminyl Radical an

Hai‐tao Yu, Lang Yuan, Yu-juan Chi, 2019, The Journal of organic chemistry.

Construction of six-membered nitrogen-heterocycles via intramolecular cyclization of iminyl radical: A theoretical perspective

Hai‐tao Yu, Yu-juan Chi, 2013 .

A combined density functional theory and numerical simulation investigation of levels of chirality transfer and regioselectivity for the radical cyclizations of N-methyl-, N-ethyl- and N-isopropyl-substituted ortho-halo-N-acryloylanilides

Hai‐tao Yu, Lang Yuan, Yu-juan Chi, 2018 .

Selective Transformation of Well-Defined Alkenyllithiums to Alkenylmagnesiums via Transmetalation.

Z. Xi, Hai‐tao Yu, Yonglian Zhang, 2018, Chemistry.

Colletotrilactam A-D, novel lactams from Colletotrichum gloeosporioides GT-7, a fungal endophyte of Uncaria rhynchophylla.

Shuangyan Zhou, Hai‐tao Yu, X. Yao, 2016, Fitoterapia.

A novel and efficient synthesis of phenanthrene derivatives via palladium/norbornadiene-catalyzed domino one-pot reaction

J. Duan, Nianguang Li, Wen-Yu Wu, 2019, Beilstein journal of organic chemistry.

Synthesis and crystal structure of 9,10-dihydro-9,10-etheno-1,8-dichloro-11-diphenylphosphinyl-12-(diphenylphosphinylethynyl)anthracene

Hai‐tao Yu, Yong Mei Wang, T. Matsuura, 2002 .

The crystal structure of a novel host 9,9', 10,10'-tetrahydro-9,10,9', 10'-biethenobianthracene -11,11'-bis-(diphenylphosphine oxide)-12,12'-diyl

Hai‐tao Yu, Yong Mei Wang, T. Matsuura, 2002 .

Structures and stabilities of HPS2 isomers

Zesheng Li, Xuri Huang, H. Fu, 2002 .

Theoretical investigation of the fragmentation mechanism of singly positively charged 5-methoxyflavone

Hai‐tao Yu, Ying Wang, Hua Zhong, 2017 .

Lattice dynamics investigation of different transition behaviors of cubic BaTiO3 and SrTiO3 by first-principles calculations

H. Fu, Hai‐tao Yu, Ying Xie, 2008 .

Theoretical study of fragmentation pathways and product distribution of deprotonated aspartic acid

Hai‐tao Yu, Hua Zhong, Zuyi Chen, 2017 .

Electronic structures and ferroelectric instabilities of cubic AV O3 (A = Sr, Ba, and Pb) perovskites by first-principles calculations

Hai‐tao Yu, Tao Liu, Ying Xie, 2010, Journal of physics. Condensed matter : an Institute of Physics journal.

The Effect of Temperatures on the Synergistic Effect between a Magnetic Field and Functionalized Graphene Oxide-Carbon Nanotube Composite for Pb2+ and Phenol Adsorption

Hai‐tao Yu, Lili Jiang, Xingang Hou, 2018, Journal of Nanomaterials.

Design, synthesis and bioactivity evaluation of novel benzophenone hydrazone derivatives.

Zhi‐Jun Zhang, Wen-Qun Li, Dan Wu, 2014, Pest management science.

Sea urchins like Na2Ti3O7 as long cycling and high-rate performance anodes for Li-ion batteries

Hai‐tao Yu, Yi-fan Wang, Ying Xie, 2023, Materials Chemistry and Physics.

Engineering the work function of buckled boron α-sheet by lithium adsorption: a first-principles investigation.

Y. Lian, Hai‐tao Yu, B. Zheng, 2014, ACS applied materials & interfaces.

Modulating the bonding properties of Li2MoO3 via non-equivalent cationic doping to enhance its stability and electrochemical performance for lithium-ion battery application

Ying Xie, Hai‐tao Yu, Ming-xia Li, 2021, Ceramics International.

Improving the stability, lithium diffusion dynamics, and specific capacity of SrLi2Ti6O14 via ZrO2 coating

Xiao-Dong Wang, Tingfeng Yi, Ying Xie, 2020 .

Computational study on structures, isomerization, and dissociation of [Si,N,C,S]+ isomers

Zesheng Li, Xuri Huang, H. Fu, 2002 .

Computational study on structures, isomerization and dissociation of [Si, N, C, O]+ isomers

Yi‐hong Ding, Zesheng Li, Xuri Huang, 2001 .

Theoretical prediction regarding structural and thermodynamical characteristics of stable CH3PO2 isomers and unimolecular decomposition mechanisms of species CH3P(O)2, CH3OPO, and CH2P(O)OH

Hua Zhong, Wei Kan, Hai-Tao Yu, 2009, J. Comput. Chem..

A density functional theory investigation of the fragmentation mechanism of deprotonated asparagine

Hai‐tao Yu, Quan Sun, 2018, Computational and Theoretical Chemistry.

Theoretical investigation on the radical-neutral reaction mechanism of CP with CH2CO and the structural nature of several low-lying intermediates

W. Kan, Hai‐tao Yu, Li-wei Zhao, 2008 .

Structure and stability of the [N,C,C,S]+ system isomers

Hai‐tao Yu, Yu-juan Chi, 2006 .

Looking for the stable isomers of [N,C,C,O]+ system

Hai‐tao Yu, Yu-juan Chi, 2006 .

Structure and Stability of Interstellar Molecule C3S

Zesheng Li, Xuri Huang, H. Fu, 2010 .

Combined DFT, QCISD(T), and G2 mechanism investigation for the reactions of carbon monophosphide CP with unsaturated hydrocarbons allene CH2CCH2 and methylacetylene CH3CCH

Hua Zhong, Yan-Li Zhao, Wei Kan, 2007, J. Comput. Chem..

A theoretical study on the radical–neutral reaction mechanism of carbon monophosphide, CP, with acetylene, C2H2

W. Kan, Yan-Li Zhao, H. Fu, 2006 .

Theoretical Study on the Reaction Mechanism of Ketene CH2CO with Isocyanate NCO Radical

W. Kan, H. Fu, Hai‐tao Yu, 2007 .

First-Principles Investigation of Stability and Structural Properties of the BaTiO3 (110) Polar Surface

Hai‐tao Yu, Ying Xie, Guo‐Xu Zhang, 2007 .

Structures and stability of isomers of [Si,N,N,P] system

W. Kan, H. Fu, Hai‐tao Yu, 2004 .

DFT Investigation of Hydrogen Atom Abstraction from NHC-Boranes by Methyl, Ethyl and Cyanomethyl Radicals—Composition and Correlation Analysis of Kinetic Barriers

Hai‐tao Yu, Lang Yuan, Hui Xu, 2020, Molecules.

Mg-doped Li1.2Mn0.54Ni0.13Co0.13O2 nano flakes with improved electrochemical performance for lithium-ion battery application

Tingfeng Yi, Qianyu Zhang, Yan-Rong Zhu, 2018 .

A quantitative approach to study the interface of carbon nanotubes/elastomer nanocomposites

Li Liu, N. Ning, M. Tian, 2018 .

Antifungal Activities of Isoflavonoids from Uromyces striatus Infected Alfalfa

Hai‐tao Yu, K. Gao, Ya Li, 2018, Chemistry & biodiversity.

First-Principles Investigation of the Electronic Properties and Stabilities of the LaAlO3 (001) and (110) (1 × 1) Polar Terminations

Yi‐hong Ding, Hong Chen, Hai‐tao Yu, 2015 .

Wortmannines A-C, three novel wortmannin derivatives with an unusual five-membered B ring from the endophytic fungus Talaromyces wortmannii LGT-4

Shuangyan Zhou, Jianguo Fang, Hai‐tao Yu, 2016 .

Theoretical study on the mechanism of the HF + HOBO reaction

H. Fu, Hai‐tao Yu, Ming-xia Li, 2003 .

First‐principles calculations of the stability and electronic properties of the PbTiO3 (110) polar surface

Ying Xie, Guo-Xu Zhang, Hai-Tao Yu, 2009, J. Comput. Chem..

Structural stabilities, surface morphologies and electronic properties of spinel LiTi2O4 as anode materials for lithium-ion battery: A first-principles investigation

Tingfeng Yi, Qing-Shan Song, Ying Xie, 2016 .

Improving the structural stability and electrochemical performance of Na2Li2Ti6O14 nanoparticles via MgF2 coating

Tingfeng Yi, Ying Xie, Chenfeng Guo, 2019, RSC advances.

Morphology control and its effect on the electrochemical performance of Na2Li2Ti6O14 anode materials for lithium ion battery application

Tingfeng Yi, Ying Xie, S. Fan, 2018 .

A first-principles investigation into the ferroelectric and antiferrodistortive instabilities of cubic SrTiO3

H. Fu, Hai‐tao Yu, Ying Xie, 2007 .

Effect of lithium extraction on the stabilities, electrochemical properties, and bonding characteristics of LiFePO4 cathode materials: A first-principles investigation

Tingfeng Yi, Ying Xie, Yanfeng Zhu, 2014 .

Highly Effective Work Function Reduction of α‐Borophene via Caesium Decoration: A First‐Principles Investigation

Hai‐tao Yu, Zhaohui Wang, Yinyin Qian, 2020, Advanced Theory and Simulations.

Understanding the thermal and mechanical stabilities of olivine-type LiMPO4 (M = Fe, Mn) as cathode materials for rechargeable lithium batteries from first principles.

Tingfeng Yi, Yan-Rong Zhu, Ying Xie, 2014, ACS applied materials & interfaces.

Molecular structures of Pr@C72 and Pr@C72(C6H3Cl2): a combined experimental–theoretical investigation

Yan-Li Zhao, Y. Lian, Hai‐tao Yu, 2015 .

Experimental and theoretical investigation of structures and relative reactivity of Pr@C74 and Pr@C74(C6H3Cl2)

Yan-Li Zhao, Y. Lian, Hai‐tao Yu, 2016 .

Imparting α-Borophene with High Work Function by Fluorine Adsorption: A First-Principles Investigation.

Xing Lu, Hai‐tao Yu, Yinyin Qian, 2021, Langmuir : the ACS journal of surfaces and colloids.

A first-principles investigation of the stabilities and electronic properties of SrZrO3 (1 1 0) (1 × 1) polar terminations

Hong Chen, Hai‐tao Yu, Ying Xie, 2014, Journal of physics. Condensed matter : an Institute of Physics journal.

SrLi2Ti6O14@AlF3 composite as high performance anode materials for lithium ion battery application

Tingfeng Yi, Ying Xie, Chenfeng Guo, 2020 .

Al2O3 coating on BaLi2Ti6O14 surface to boost its stability and rate performance

Xiao-Dong Wang, Tingfeng Yi, Ying Xie, 2020 .

Ultra-stable metallic freestanding multilayer borophene with tunable work function

Hai‐tao Yu, Yinyin Qian, Lin Yang, 2022, Applied Surface Science.

Ultra-stable metallic freestanding multilayer borophene with elevated work function

Hai‐tao Yu, Yinyin Qian, N. Tang, 2022 .

Novel α- and β-type boron sheets: Theoretical insight into their structures, thermodynamic stability, and work functions

Y. Lian, Hai‐tao Yu, B. Zheng, 2016 .

Modulating the Stoichiometry and Lithium Content to Boost the Electrochemical Performance of Li2ZnTi3O8 via High Valence Nb5+ Dopants

Hai‐tao Yu, Ying Xie, Wei Ge, 2023, Advanced Sustainable Systems.

Investigations of lithium manganese oxide materials for lithium-ion batteries

Yong Yang, D. Shu, Hai‐tao Yu, 1997 .

Thermodynamic stability and transport properties of tavorite LiFeSO4F as a cathode material for lithium-ion batteries

Tingfeng Yi, Qing-Shan Song, Yan-Rong Zhu, 2015 .

Predicting Potential Stable Isomers on the Singlet Surface of the [H,P,C,S] System by the MP2 and QCISD(T) Methods

Hai‐tao Yu, 2006 .

CoWO4 nanopaticles wrapped by RGO as high capacity anode material for lithium ion batteries

H. Fu, Lei Wang, Pengyao Yu, 2017, Rare Metals.

Structures and Stability of HNS2 Isomers

Zesheng Li, Xuri Huang, H. Fu, 2010 .

Recycling and Recovery of Deactivated CsPbBr3 Perovskite after Photocatalytic CO2 Reduction Reaction.

X. Lai, Jianhui Sun, Hai‐tao Yu, 2023, ACS applied materials & interfaces.

First-principles study on the electronic and bonding properties of PbTiO3 (110) polar terminations

Hai‐tao Yu, Ying Xie, Guo‐Xu Zhang, 2015, Chemical Research in Chinese Universities.

4-[(2,4-Dimethylthiazol-5-yl)methyl]-4-hydroxy-2-methylisoquinoline-1,3(2H,4H)-dione

Jia Hao Goh, H. Fun, Hai‐tao Yu, 2010, Acta crystallographica. Section E, Structure reports online.

Understanding the thermal stability and bonding characteristic of LixNi0.5Mn1.5O4 as cathode materials for lithium-ion battery from first principles

Tingfeng Yi, Qing-Shan Song, Ying Xie, 2017, Ionics.

Hierarchical Zn3V2O8 microspheres interconnected via conductive carbon nanotubes as promising anode materials for lithium-ion battery applications

Ming Liu, Hai‐tao Yu, Lang Yuan, 2023, Rare Metals.

Electronic properties of BaTiO3 (110) polar terminations

Ying Xie, Hai‐tao Yu, 2014, Chemical Research in Chinese Universities.

Structures and stabilities of HPO2 isomers

Zesheng Li, H. Fu, Hai‐tao Yu, 2002 .

First-principles investigation of stability diagram and electronic properties of SrHfO3 (110) polar terminations

Ying Xie, Hong Chen, Hai‐tao Yu, 2016 .

Li1.2Mn0.54Ni0.13Co0.13O2 hollow hierarchical microspheres with enhanced electrochemical performances as cathode material for lithium-ion battery application

Tingfeng Yi, Ying Xie, S. Fan, 2017 .

W. Kan, Hai‐tao Yu, Hua Zhong, 2009, J. Comput. Chem..

Effects of adatom species on the structure, stability, and work function of adatom-α-borophene nanocomposites.

Hai‐tao Yu, Jiao Zhang, Yinyin Qian, 2022, Physical chemistry chemical physics : PCCP.

Multi-hydroxyl-containing porous organic polymers based on phenol formaldehyde resin chemistry with high carbon dioxide capture capacity

Bao-hang Han, Xuesong Ding, Hai‐tao Yu, 2015 .

Field emission properties of capped carbon nanotubes doped by alkali metals: a theoretical investigation

Lei Jin, H. Fu, Hai‐tao Yu, 2012 .