Structure-dependent luminescence of tetra-(4-pyridylphenyl)ethylene: a first-principles study

Ziye Wu; Guozhen Zhang; Edward Sharman; Peng Cui; Jun Jiang

doi:10.1039/c7cp06643k

Structure-dependent luminescence of tetra-(4-pyridylphenyl)ethylene: a first-principles study

Physical Chemistry Chemical Physics ◽

10.1039/c7cp06643k ◽

2018 ◽

Vol 20 (1) ◽

pp. 41-45 ◽

Cited By ~ 1

Author(s):

Ziye Wu ◽

Guozhen Zhang ◽

Edward Sharman ◽

Peng Cui ◽

Jun Jiang

Keyword(s):

Molecular Structure ◽

First Principles ◽

Fluorescence Properties ◽

Tddft Calculations ◽

First Principles Study ◽

The Relationship

The relationship between the molecular structure and fluorescence properties of TPPE was investigated by TDDFT calculations.

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Mapping the relationship among composition, stacking fault energy and ductility in Nb alloys: A first-principles study

Acta Materialia ◽

10.1016/j.actamat.2017.11.029 ◽

2018 ◽

Vol 144 ◽

pp. 853-861 ◽

Cited By ~ 11

Author(s):

Songxin Shi ◽

Linggang Zhu ◽

Hu Zhang ◽

Zhimei Sun ◽

Rajeev Ahuja

Keyword(s):

First Principles ◽

Stacking Fault ◽

Stacking Fault Energy ◽

First Principles Study ◽

The Relationship

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First-principles study of the electronic and molecular structure of protein nanotubes

Physical Review B ◽

10.1103/physrevb.64.115425 ◽

2001 ◽

Vol 64 (11) ◽

Cited By ~ 11

Author(s):

Hajime Okamoto ◽

Kyozaburo Takeda ◽

Kenji Shiraishi

Keyword(s):

Molecular Structure ◽

First Principles ◽

First Principles Study ◽

Protein Nanotubes

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First-principles study on the relationship between magnetic anisotropy and anomalous Hall effect of bct-Fe50Co50

Journal of Applied Physics ◽

10.1063/1.4862218 ◽

2014 ◽

Vol 115 (17) ◽

pp. 17C710

Author(s):

Kazushige Hyodo ◽

Yohei Kota ◽

Akimasa Sakuma

Keyword(s):

Magnetic Anisotropy ◽

Hall Effect ◽

First Principles ◽

Anomalous Hall Effect ◽

First Principles Study ◽

The Relationship

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Effect of molecular structure on spin-dependent electron transport in biferrocene-based molecular junctions: a first-principles study

Journal of Computational Electronics ◽

10.1007/s10825-017-0968-9 ◽

2017 ◽

Vol 16 (2) ◽

pp. 340-346 ◽

Cited By ~ 9

Author(s):

Shundong Yuan ◽

Shiyan Wang ◽

Yudou Wang ◽

Qidan Ling

Keyword(s):

Molecular Structure ◽

Electron Transport ◽

First Principles ◽

Molecular Junctions ◽

First Principles Study

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First principles study on the molecular structure and vibrational spectra of ketoprofen

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2012.06.021 ◽

2012 ◽

Vol 97 ◽

pp. 329-339 ◽

Cited By ~ 3

Author(s):

Lekun Liu ◽

Hongwei Gao

Keyword(s):

Molecular Structure ◽

Vibrational Spectra ◽

First Principles ◽

First Principles Study

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FIRST-PRINCIPLES STUDY OF MAGNETISM AND HALF-METALLIC PROPERTIES OF THE D0 QUATERNARY HEUSLER ALLOYS BANYO (Y = K, RB AND CS)

Письма в Журнал экспериментальной и теоретической физики ◽

10.31857/s123456782012006x ◽

2020 ◽

Vol 111 (11-12(6)) ◽

pp. 819-819

Author(s):

S. BENATMANE ◽

S. CHERID

Keyword(s):

First Principles ◽

Heusler Alloys ◽

Half Metallic ◽

First Principles Study ◽

Quaternary Heusler Alloys

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INSIGHT INTO STRUCTURAL, ELECTRONIC, MAGNETIC AND ELASTIC PROPERTIES OF FULL-HEUSLER ALLOYS CO2YPB (Y = TI, V, FE AND MO): A ﬁRST-PRINCIPLES STUDY

Письма в Журнал экспериментальной и теоретической физики ◽

10.31857/s123456782017005x ◽

2020 ◽

Vol 112 (5-6(9)) ◽

pp. 312-312

Author(s):

A. ZITOUNI ◽

G. REMIL ◽

B. BOUADJEMI ◽

W. BENSTAALI ◽

T. LANTRI ◽

...

Keyword(s):

Elastic Properties ◽

First Principles ◽

Heusler Alloys ◽

First Principles Study ◽

Full Heusler ◽

Full Heusler Alloys ◽

Insight Into

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The Effect of Donor Molecular Structure on Power Conversion Efficiency of Small-Molecule-Based Organic Solar Cells

Mini-Reviews in Organic Chemistry ◽

10.2174/1570193x15666180627145325 ◽

2019 ◽

Vol 16 (3) ◽

pp. 236-243 ◽

Cited By ~ 1

Author(s):

Hui Zhang ◽

Yibing Ma ◽

Youyi Sun ◽

Jialei Liu ◽

Yaqing Liu ◽

...

Keyword(s):

Molecular Structure ◽

Solar Cells ◽

Power Conversion Efficiency ◽

Conversion Efficiency ◽

Small Molecule ◽

Organic Solar Cells ◽

Molecular Design ◽

Power Conversion ◽

The Relationship

In this review, small-molecule donors for application in organic solar cells reported in the last three years are highlighted. Especially, the effect of donor molecular structure on power conversion efficiency of organic solar cells is reported in detail. Furthermore, the mechanism is proposed and discussed for explaining the relationship between structure and power conversion efficiency. These results and discussions draw some rules for rational donor molecular design, which is very important for further improving the power conversion efficiency of organic solar cells based on the small-molecule donor.

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