Jian Wang

发表

Iron oxides with a reverse spinel structure: impact of active sites on molecule adsorption

Hong-Xing Zhang, Fuquan Bai, R. Jia, 2019, Inorganic Chemistry Frontiers.

Efficient Color-Tunable Copper(I) Complexes and Their Applications in Solution-Processed Organic Light-Emitting Diodes.

G. Cheng, C. Che, Xiaoyong Chang, 2017, Chemistry, an Asian journal.

Efficient blue-emitting Ir(III) complexes with phosphine carbanion-based ancillary ligand: a DFT study.

Hong-Xing Zhang, Fuquan Bai, B. Xia, 2011, The journal of physical chemistry. A.

DFT/TD-DFT calculations on the sensing mechanism of a dual response near-infrared fluorescent chemosensor for superoxide anion and hydrogen polysulfides: photoinduced electron transfer

Wei Li, Hong-Xing Zhang, Fuquan Bai, 2016 .

Accurate simulation of geometry, singlet-singlet and triplet-singlet excitation of cyclometalated iridium(III) complex

Hong-Xing Zhang, Fuquan Bai, T. Cui, 2014, Journal of Molecular Modeling.

A DFT exploration of luminescent rhenium(I) tricarbonyl diimine complex with a triarylboron moiety and its F derivative

Hong-Xing Zhang, Fuquan Bai, B. Xia, 2011 .

Diverse emission properties of transition metal complexes beyond exclusive single phosphorescence and their wide applications

Yong-ping Chen, Kai Li, Chuluo Yang, 2021 .

REACTION MECHANISM OF THE CCN RADICAL WITH NITROGEN DIOXIDE

Yi‐hong Ding, Lin Jin, Jian Wang, 2007 .

An ignored but most favorable channel for NCO+C2H2 reaction.

Yi‐hong Ding, Chia-Chung Sun, Shaowen Zhang, 2006, The Journal of chemical physics.

Cyanomethylidyne: a reactive carbyne radical.

Yi‐hong Ding, Chia-Chung Sun, Jian Wang, 2006, Chemphyschem : a European journal of chemical physics and physical chemistry.

A barrier-free nonatomic radical-molecule reaction: CCN + CH4.

Yi‐hong Ding, Chia-Chung Sun, Jian Wang, 2005, Chemphyschem : a European journal of chemical physics and physical chemistry.

Strong Fluorescent Lanthanide Salen Complexes: Photophysical Properties, Excited-State Dynamics, and Bioimaging.

Wenkai Zhang, Jun‐Long Zhang, Yingying Ning, 2018, Inorganic chemistry.

Theoretical Studies on Phosphorescent Materials: The Conjugation-Extended PtII Complexes

Hong-Xing Zhang, Fuquan Bai, Jian Wang, 2014 .

Theoretical investigation on the spectroscopic properties of cyclometallated iridium (III) complexes and the deprotonation influence on them in solution

Hong-Xing Zhang, Fuquan Bai, B. Xia, 2011 .

Controlling Metallophilic Interactions in Chiral Gold(I) Double Salts towards Excitation Wavelength‐Tunable Circularly Polarized Luminescence

Hong-Xing Zhang, C. Che, Yong-ping Chen, 2020, Angewandte Chemie.

Regulating vibrational modes to improve quantum efficiency: insights from theoretical calculations on iridium(iii) complexes bearing tridentate NCN and NNC chelates.

R. Jia, Hao Guo, Jian Wang, 2019, Dalton transactions.

Theoretical studies on the absorption spectra and intramolecular charge transfer of push-pull zinc porphyrin dyes for dye-sensitized solar cells

Hong Xia, Hong-Xing Zhang, R. Jia, 2015, Chemical Research in Chinese Universities.

Effect of the linkage position in ruthenium dyes on the photoelectrochemical perfomance

Guangxin Gu, R. Jia, Hao Guo, 2017, Journal of Saudi Chemical Society.

Theoretical investigation and design of high-efficiency dithiafulvenyl-based sensitizers for dye-sensitized solar cells: the impacts of elongating π-spacers and rigidifying dithiophene.

Hong-Xing Zhang, Fuquan Bai, Wei Li, 2014, Physical chemistry chemical physics : PCCP.

Why HS− and CN− can be detected by different chemosensors with similar structures: a quantum mechanics and molecular dynamics study

Hong-Xing Zhang, R. Jia, Jian Wang, 2016 .

Theoretical study on the reaction mechanism of the thermal cis–trans isomerization of fluorine-substituted azobenzene derivatives

Fuquan Bai, Xingyi Jin, Jian Wang, 2018, RSC advances.

The theoretical study of substituent and charge effects in the conformational transformation process of molecular machine unit spiropyran

Hong-Xing Zhang, Fuquan Bai, Yongpeng Wang, 2017 .

Two cationic [(CuxIy)x−y]n motif based coordination polymers and their photocatalytic properties

Hong-Xing Zhang, J. Wang, Guangfeng Hou, 2016 .

2D Boron Carbide, Carbon Nitride, and Silicon Carbide: A Theoretical Prediction

Jia-qi Zhang, Jian Wang, Ran Jia, 2022, ACS Applied Electronic Materials.

Doping at sp3-site in Me-graphene (

Hong-Xing Zhang, Roberts Eglitis, Jian Wang, 2022, Applied Surface Science.

A density functional theory investigation of the stability, aromaticity, and photophysical behavior for the highly conjugated macrocycles containing 4 pyrroles

Hong-Xing Zhang, Fuquan Bai, B. Xia, 2017 .

Theoretical investigation on the spectroscopic properties of Zn porphyrin and Zn tetrapyrrin

Hong-Xing Zhang, Fuquan Bai, Xin Wang, 2016 .

Controlling Metallophilic Interactions in Chiral Au(I) Double Salts towards Excitation Wavelength-Tunable Circularly Polarized Luminescence.

Hong-Xing Zhang, C. Che, W. Lu, 2020, Angewandte Chemie.

DFT evaluation of the electronic structures and spectroscopic properties of the self-assembled [Pt2M4(C ≡ CH)8] (M=Cu, Ag) clusters

Hong-Xing Zhang, Fuquan Bai, B. Xia, 2009 .

DFT/TDDFT investigation of the electronic structures and optoelectronic properties of phosphorescent iridium (III) complexes with non-conjugated cyclometalated carbene ligands

Jian Wang, Zai-Feng Xie, Fu-Quan Bai, 2011 .

Protonation-triggered conversion between single- and triple-stranded helices with a visible fluorescence change.

Hong-Xing Zhang, Jie Zhang, Xu-Hui Jin, 2011, Angewandte Chemie.

Theoretical understanding of ruthenium(II) based fluoride sensor derived from 4,5-bis(benzimidazol-2-yl)imidazole (H3ImBzim) and bipyridine: electronic structure and binding nature.

Hong-Xing Zhang, Fuquan Bai, B. Xia, 2011, The journal of physical chemistry. A.

Theoretical investigation on the photoswitchable second-order nonlinear optical properties of a series of B(C6F5)2-coordinated dithienylethene derivatives

Wei Zhang, Hong-Xing Zhang, Xianhe Liu, 2017 .

Molecular design of organic dyes with diketopyrrolopyrrole for dye‐sensitized solar cell: A theoretical approach

Hong-Xing Zhang, Fuquan Bai, Jie Chen, 2014 .

Theoretical investigation on the spectroscopy prosperities of four isomers of an encoder molecule FGDTE

Hong-Xing Zhang, Fuquan Bai, Jian Wang, 2014 .

Theoretical study on the methyl radical with chlorinated methyl radicals CH3−nCln (n = 1, 2, 3) and CCl2

Jian Wang, Chia-Chung Sun, Yi-Hong Ding, 2007, J. Comput. Chem..

Theoretical mechanistic study on the ion-molecule reaction of SiCN+/SiNC+ with H2O.

Yi‐hong Ding, Jian Wang, Chia-Chung Sun, 2005, The Journal of chemical physics.

Theoretical mechanistic study on the radical–molecule reactions of cyanomethylidyne with PH3, H2S, and HCl

Jian Wang, Chia-Chung Sun, Yi-Hong Ding, 2006, J. Comput. Chem..

Gaseous reaction mechanism of C2F radical with water

Jian Wang, Chia-Chung Sun, Yi-Hong Ding, 2006, J. Comput. Chem..

Sandwich-like compounds based on bare all-boron cluster B(6)(2-).

Yi‐hong Ding, Li‐Ming Yang, Jian Wang, 2008, Physical chemistry chemical physics : PCCP.

Theoretical study on a high-efficient porphyrin-sensitizer in a local electric field: How does the local electric field affects the performance of dye-sensitized solar cells?

Hong-Xing Zhang, Qingjiang Pan, Miao Xie, 2015 .

Design of D–A–π–A organic dyes with different acceptor and auxiliary acceptor for highly efficient dye-sensitized solar cells: a computational study

Hong Xia, Hong-Xing Zhang, Fuquan Bai, 2014 .

Influence of one-dimensional TiO2 nanotube on interfacial electron transfer in dye-sensitized solar cells: Insights from theoretical investigation

Hong-Xing Zhang, Fuquan Bai, R. Jia, 2018, Solar Energy.

Regulating ancillary ligands of Ru(ii) complexes with square-planar quadridentate ligands for more efficient sensitizers in dye-sensitized solar cells: insights from theoretical investigations.

Hong-Xing Zhang, Fuquan Bai, Wei Li, 2016, Physical chemistry chemical physics : PCCP.

Enhancing Electron Injection in Dye‐Sensitized Solar Cells by Adopting W6+‐Doped TiO2 Nanowires: A Theoretical Study

Hong-Xing Zhang, Fuquan Bai, Jian Wang, 2015 .

Theoretical studies of fluorine substituent effect on organic photo-sensitizers in dye sensitized solar cells

Hong-Xing Zhang, Miao Xie, Fuquan Bai, 2015 .

Theoretical studies of electronic and optical properties of the triphenylamine-based organic dyes with diketopyrrolopyrrole chromophore

Hong Xia, Hong-Xing Zhang, Fuquan Bai, 2015 .

Theoretical investigation of triphenylamine-based sensitizers with different π-spacers for DSSC.

Hong-Xing Zhang, Fuquan Bai, Wei Li, 2014, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

DFT and TD-DFT study on the electronic structures and phosphorescent properties of 6-phenyl-2,2'-bipyridine tridentate iridium(III) complexes and their isomer.

Hong-Xing Zhang, Qingjiang Pan, Fuquan Bai, 2012, Dalton transactions.

Probing the effect of substituent groups in Ir(III) bis-tridentate complexes during deep-blue phosphorescent illuminating

Hong-Xing Zhang, Fuquan Bai, Yuxin Tian, 2020 .

Investigating phosphorescence capability of halogen-substituted metal-free organic molecules: A theoretical study.

Fuquan Bai, Keli Zhong, Yuxin Tian, 2021, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

How does graphene enhance the photoelectric conversion efficiency of dye sensitized solar cells? An insight from a theoretical perspective

Wei Li, Hong-Xing Zhang, Roberts Eglitis, 2019, Journal of Materials Chemistry A.

Synthesis, characterization and photovoltaic properties of benzo[1,2-b:4,5-b′]dithiophene-bridged molecules

Feng Yan, Y. Lo, W. Wong, 2014 .

Lighting Silver(I) Complexes for Solution-Processed Organic Light-Emitting Diodes and Biological Applications via Thermally Activated Delayed Fluorescence.

G. Cheng, Hong-Xing Zhang, C. Che, 2020, Inorganic chemistry.

Odd aromatic Si4 ring stabilized by VV bond passing through it: May π-bonding form without σ-bonding as precondition?

Jian Wang, Nannan Liu, 2018, International Journal of Quantum Chemistry.

Reaction mechanism of the CCN radical with nitric oxide

LIN JIN, YI-HONG DING, JIAN WANG, 2006, J. Comput. Chem..

3D-Graphene/Boron Nitride-stacking Material: a Fundamental van der Waals Heterostructure

Roberts Eglitis, R. Jia, Jian Wang, 2018, Chemical Research in Chinese Universities.

Novel Carbon Nanotubes Rolled from 6,6,12-Graphyne: Double Dirac Points in 1D Material

Hong-Xing Zhang, Yuchen Ma, Roberts Eglitis, 2017 .

Certain doping concentrations caused half-metallic graphene

Hong-Xing Zhang, Roberts Eglitis, R. Jia, 2017 .

Theoretical studies on spectroscopic properties of ruthenium sensitizers absorbed to TiO2 film surface with connection mode for DSSC

Jian Wang, Jie Chen, Zai-Feng Xie, 2012 .

Highly Efficient Thermally Activated Delayed Fluorescence from Pyrazine-Fused Carbene Au(I) Emitters.

G. Cheng, C. Che, Yong-ping Chen, 2021, Chemistry.

Strategies on Cyclometalating Ligand Substitution of Several Ir(III) Complexes: Theoretical Investigation of Different Molecular Behaviors

Hong-Xing Zhang, Fuquan Bai, I. Szilágyi, 2018, Organometallics.

What Makes Hydroxamate a Promising Anchoring Group in Dye-Sensitized Solar Cells? Insights from Theoretical Investigation.

Hong-Xing Zhang, L. Rego, Fuquan Bai, 2014, The journal of physical chemistry letters.

Highly-efficient sensitizer with zinc porphyrin as building block: Insights from DFT calculations

Hong-Xing Zhang, Yuan Sun, Wei Li, 2018, Solar Energy.

On the viability of cyclometalated Ru(II) complexes as dyes in DSSC regulated by COOH group, a DFT study.

Hong-Xing Zhang, Qingjiang Pan, Fuquan Bai, 2011, Physical chemistry chemical physics : PCCP.

Investigation of the typical triangular structure B3 in boron chemistry: insight into bare all-boron clusters used as ligands or building blocks.

Yi‐hong Ding, Li‐Ming Yang, Jian Wang, 2007, Journal of Physical Chemistry A.

Nickel-catalyzed carboxylation of aryl zinc reagent with CO2: A theoretical and experimental study

Hong-Xing Zhang, Mei-Yan Wang, Roberts Eglitis, 2019, Journal of CO2 Utilization.

Theoretical Studies on Aromaticity of Spiro Metallaaromatics of (C10H10M)2‒(M=Ni, Pd, Pt)

Jian Wang, Nannan Liu, 2018, Chemical Research in Chinese Universities.

Theoretical study on inverse sandwiches [M(AIP)]2(C4H4) (M = V, Cr): High spin multiplicity of septet and nonet

Jian Wang, Nannan Liu, 2018 .

Comparative study on the photophysical properties between carbene‐based Fe (II) and Ru (II) complexes

Hong-Xing Zhang, Fuquan Bai, Jie Chen, 2020 .

Theoretical studies on the spectroscopic properties of porphyrin derivatives for dye-sensitized solar cell application

Hong Xia, Hong-Xing Zhang, Miao Xie, 2015 .

Fine-tuning π-spacer for high efficiency performance DSSC: A theoretical exploration with D−π−A based organic dye

Hong-Xing Zhang, Fuquan Bai, R. Jia, 2017 .

Planar amine-based dye features the rigidified O-bridged dithiophene π-spacer: A potential high-efficiency sensitizer for dye-sensitized solar cells application

Hong-Xing Zhang, Fuquan Bai, Wei Li, 2015 .

Optical properties of dye based on hydroxamate improved with designed tridentate ligands for dye sensitized solar cell: a theoretical study

Hong-Xing Zhang, Jie Chen, Jian Wang, 2015, Chemical Research in Chinese Universities.

How does the porphyrin-like vacancy affect the spectral properties of graphene quantum dots? A theoretical study

Hong-Xing Zhang, Fuquan Bai, R. Jia, 2019, Journal of physics. Condensed matter : an Institute of Physics journal.

Theoretical Studies on Structural and Spectroscopic Properties of Photoelectrochemical Cell Ruthenium Sensitizers―the Derivatives of N3

Hong-Xing Zhang, Qingjiang Pan, Fuquan Bai, 2013 .