PubRank

Zhigang Shuai

Author PubWeight™ 35.78‹?›

Top papers

Rank Title Journal Year PubWeight™‹?›
1 Electronic structure and carrier mobility in graphdiyne sheet and nanoribbons: theoretical predictions. ACS Nano 2011 1.16
2 A cyclic triphenylamine dimer for organic field-effect transistors with high performance. J Am Chem Soc 2006 1.13
3 First-principles prediction of charge mobility in carbon and organic nanomaterials. Nanoscale 2012 1.06
4 Coordination complexes of 2-(4-quinolyl)nitronyl nitroxide with M(hfac)(2) [M = Mn(II), Co(II), and Cu(II)]: syntheses, crystal structures, and magnetic characterization. Inorg Chem 2004 1.06
5 Tunable band gap photoluminescence from atomically thin transition-metal dichalcogenide alloys. ACS Nano 2013 1.03
6 Computational methods for design of organic materials with high charge mobility. Chem Soc Rev 2009 1.00
7 Theoretical modelling of carrier transports in molecular semiconductors: molecular design of triphenylamine dimer systems. Nanotechnology 2007 0.94
8 Extended squaraine dyes with large two-photon absorption cross-sections. J Am Chem Soc 2006 0.93
9 Size-tunable emission from 1,3-diphenyl-5-(2-anthryl)-2-pyrazoline nanoparticles. J Am Chem Soc 2003 0.93
10 Balanced carrier transports of electrons and holes in silole-based compounds--a theoretical study. J Phys Chem A 2006 0.92
11 Theoretical predictions of size-dependent carrier mobility and polarity in graphene. J Am Chem Soc 2009 0.90
12 Toward quantitative prediction of molecular fluorescence quantum efficiency: role of duschinsky rotation. J Am Chem Soc 2007 0.89
13 Structures, electronic states, and electroluminescent properties of a zinc(II) 2-(2-hydroxyphenyl)benzothiazolate complex. J Am Chem Soc 2003 0.87
14 Multilevel conductance switching of memory device through photoelectric effect. J Am Chem Soc 2012 0.86
15 Efficient degradation of toxic organic pollutants with Ni2O3/TiO(2-x)Bx under visible irradiation. J Am Chem Soc 2004 0.86
16 1,3-Dithiole-2-thione derivatives featuring an anthracene unit: new selective chemodosimeters for Hg(II) ion. Chem Commun (Camb) 2005 0.84
17 Electronic structure of pyridine-based SAMs on flat Au(111) surfaces: extended charge rearrangements and Fermi level pinning. Phys Chem Chem Phys 2011 0.84
18 Photoactive gate dielectrics. Adv Mater 2010 0.83
19 Interface electronic structures of reversible double-docking self-assembled monolayers on an Au(111) surface. Philos Trans A Math Phys Eng Sci 2014 0.83
20 Toward quantitative prediction of charge mobility in organic semiconductors: tunneling enabled hopping model. Adv Mater 2012 0.82
21 Intersystem crossing processes in nonplanar aromatic heterocyclic molecules. J Phys Chem A 2007 0.81
22 Charge transfer rates in organic semiconductors beyond first-order perturbation: from weak to strong coupling regimes. J Chem Phys 2009 0.81
23 Excited state radiationless decay process with Duschinsky rotation effect: formalism and implementation. J Chem Phys 2007 0.81
24 Nonperturbative time-convolutionless quantum master equation from the path integral approach. J Chem Phys 2009 0.80
25 Polyaniline/Fe3O4 nanoparticle composite: synthesis and reaction mechanism. J Phys Chem B 2009 0.80
26 Amidourea-based hydrogen-bonded heteroduplexes: structure and assembling selectivity. J Org Chem 2012 0.79
27 Fused-ring pyrazine derivatives for n-type field-effect transistors. ACS Appl Mater Interfaces 2009 0.79
28 Water transport and purification in nanochannels controlled by asymmetric wettability. Small 2011 0.79
29 Solution-processed, high-performance nanoribbon transistors based on dithioperylene. J Am Chem Soc 2010 0.79
30 Dicyanovinyl heterotetracenes: synthesis, solid-state structures, and photophysical properties. J Org Chem 2009 0.79
31 Dynamic Monte Carlo simulation for highly efficient polymer blend photovoltaics. J Phys Chem B 2010 0.78
32 Singlet-triplet splittings and their relevance to the spin-dependent exciton formation in light-emitting polymers: an EOM/CCSD study. J Phys Chem A 2006 0.78
33 Fullerene/sulfur-bridged annulene cocrystals: two-dimensional segregated heterojunctions with ambipolar transport properties and photoresponsivity. J Am Chem Soc 2013 0.78
34 Structures, electronic states, photoluminescence, and carrier transport properties of 1,1-disubstituted 2,3,4,5-tetraphenylsiloles. J Am Chem Soc 2005 0.77
35 Solution-processed solid solution of a novel carbazole derivative for high-performance blue phosphorescent organic light-emitting diodes. Adv Mater 2010 0.77
36 Multiscale study of charge mobility of organic semiconductor with dynamic disorders. Phys Chem Chem Phys 2010 0.77
37 First-principle band structure calculations of tris(8-hydroxyquinolinato)aluminum. J Phys Chem B 2006 0.77
38 High two-photon cross-sections in bis(diarylaminostyryl) chromophores with electron-rich heterocycle and bis(heterocycle)vinylene bridges. Chem Commun (Camb) 2007 0.77
39 Theoretical insight into the aggregation induced emission phenomena of diphenyldibenzofulvene: a nonadiabatic molecular dynamics study. Phys Chem Chem Phys 2012 0.77
40 Modeling thermoelectric transport in organic materials. Phys Chem Chem Phys 2012 0.77
41 Is there a Au-S bond dipole in self-assembled monolayers on gold? Phys Chem Chem Phys 2010 0.77
42 Negative isotope effect for charge transport in acenes and derivatives--a theoretical conclusion. Phys Chem Chem Phys 2015 0.77
43 Theoretical study of radiative and non-radiative decay processes in pyrazine derivatives. J Chem Phys 2011 0.77
44 Anion-binding properties of π-electron deficient cavities in bis(tetraoxacalix[2]arene[2]triazine): a theoretical study. J Phys Chem A 2013 0.77
45 Organic single crystal field-effect transistors based on 6H-pyrrolo[3,2-b:4,5-b ]bis[1,4]benzothiazine and its derivatives. Adv Mater 2010 0.76
46 An improved dynamic Monte Carlo model coupled with Poisson equation to simulate the performance of organic photovoltaic devices. J Chem Phys 2011 0.76
47 The role of the nπ* 1A(u) state in the photoabsorption and relaxation of pyrazine. Chem Asian J 2011 0.76
48 First-principles investigation of organic semiconductors for thermoelectric applications. J Chem Phys 2009 0.76
49 Aggregation induced blue-shifted emission--the molecular picture from a QM/MM study. Phys Chem Chem Phys 2014 0.75
50 Theoretical predictions of red and near-infrared strongly emitting X-annulated rylenes. J Chem Phys 2011 0.75
51 Low-dimensional aggregates from stilbazolium-like dyes. Angew Chem Int Ed Engl 2004 0.75
52 Two-photon absorption properties of iron(II) and ruthenium(II) trischelate complexes of 2,2':4,4' ':4',4' ''-quaterpyridinium ligands. J Phys Chem A 2007 0.75
53 Theory of excited state decays and optical spectra: application to polyatomic molecules. J Phys Chem A 2010 0.75
54 Solid supramolecular architecture of a perylene diimide derivative for fluorescent enhancement. Chem Asian J 2012 0.75
55 Binaphthalene molecules with tetrathiafulvalene units: CD spectrum modulation and new chiral molecular switches by reversible oxidation and reduction of tetrathiafulvalene units. J Org Chem 2006 0.75
56 Effects of size constraint on water filling process in nanotube. J Chem Phys 2008 0.75
57 Theoretical insights into the aggregation-induced emission by hydrogen bonding: a QM/MM study. J Phys Chem A 2012 0.75
58 Structure-property relationships for three-photon absorption in stilbene-based dipolar and quadrupolar chromophores. J Chem Phys 2006 0.75
59 Influences of molecular packing on the charge mobility of organic semiconductors: from quantum charge transfer rate theory beyond the first-order perturbation. Phys Chem Chem Phys 2011 0.75
60 Charge-transfer complex crystal based on extended-π-conjugated acceptor and sulfur-bridged annulene: charge-transfer interaction and remarkable high ambipolar transport characteristics. Adv Mater 2014 0.75
61 Multifunctional bipolar triphenylamine/oxadiazole derivatives: highly efficient blue fluorescence, red phosphorescence host and two-color based white OLEDs. Chem Commun (Camb) 2008 0.75
62 The correction vector method for three-photon absorption: the effects of pi conjugation in extended rylenebis(dicarboximide)s. J Chem Phys 2006 0.75
63 Tuning the fluorescence of 1-imino nitroxide pyrene with two chemical inputs: mimicking the performance of an "AND" gate. Chem Commun (Camb) 2004 0.75
64 Intramolecular electron transfer within the substituted tetrathiafulvalene-quinone dyads: facilitated by metal ion and photomodulation in the presence of spiropyran. J Am Chem Soc 2007 0.75
65 Thin film field-effect transistors of 2,6-diphenyl anthracene (DPA). Chem Commun (Camb) 2015 0.75
66 Three-photon absorption in anthracene-porphyrin-anthracene triads: a quantum-chemical study. J Chem Phys 2004 0.75
67 Coarse-grained molecular dynamics simulations of photoswitchable assembly and disassembly. Nanoscale 2013 0.75
68 Spontaneously aggregated chiral nanostructures from achiral tripod-terpyridine. J Phys Chem B 2007 0.75
69 Local approach to coupled cluster evaluation of polarizabilities for long conjugated molecules. J Comput Chem 2008 0.75
70 Molecular dynamics simulations of the supramolecular assembly between an azobenzene-containing surfactant and α-cyclodextrin: role of photoisomerization. J Phys Chem B 2012 0.75
71 Effects of donor/acceptor strengths on the multiphoton absorption: an EOM-CCSD correction vector study. J Phys Chem A 2007 0.75
72 Aggregation effects on the optical emission of 1,1,2,3,4,5-hexaphenylsilole (HPS): a QM/MM study. J Phys Chem A 2014 0.75
73 Structure to property relationships for multiphoton absorption in covalently linked porphyrin dimers: a correction vector INDO/MRDCI study. J Phys Chem A 2007 0.75
74 Sulfur-bridged annulene-TCNQ co-crystal: a self-assembled ''molecular level heterojunction'' with air stable ambipolar charge transport behavior. Adv Mater 2012 0.75
75 Stretching single polymer chains of donor-acceptor foldamers: toward the quantitative study on the extent of folding. Langmuir 2013 0.75
76 New heterocyclic tetrathiafulvalene compounds with an azobenzene moiety: photomodulation of the electron-donating ability of the tetrathiafulvalene moiety. J Org Chem 2007 0.75
77 Erratum: Intrinsic and Extrinsic Charge Transport in CH3NH3PbI3 Perovskites Predicted from First-Principles. Sci Rep 2017 0.75
78 Chiral molecular switches based on binaphthalene molecules with anthracene moieties: CD signal due to interchromophoric exciton coupling and modulation of the CD spectrum. J Org Chem 2007 0.75
79 Theoretical study of substitution effects on molecular reorganization energy in organic semiconductors. J Chem Phys 2011 0.75
80 Asymmetrical fluorene[2,3-b]benzo[d]thiophene derivatives: synthesis, solid-state structures, and application in solution-processable organic light-emitting diodes. Chemistry 2009 0.75
81 Understanding the charge transport and polarities in organic donor-acceptor mixed-stack crystals: molecular insights from the super-exchange couplings. Adv Mater 2015 0.75
82 Making silole photovoltaically active by attaching carbazolyl donor groups to the silolyl acceptor core. Chem Commun (Camb) 2005 0.75
83 Size-dependent exciton chirality in (R)-(+)-1,1'-bi-2-naphthol dimethyl ether nanoparticles. J Am Chem Soc 2004 0.75
84 Effects of intermolecular interaction and molecule-electrode couplings on molecular electronic conductance. J Phys Chem B 2005 0.75
85 First synthesis of 2,3,6,7-tetrabromonaphthalene diimide. Org Lett 2007 0.75
86 Quantum chemical insights into the aggregation induced emission phenomena: a QM/MM study for pyrazine derivatives. J Comput Chem 2012 0.75