First-Principles Calculation of Triplet Exciton Diffusion in Crystalline Poly(p-phenylene vinylene)

Igor Lyskov; Egor Trushin; Ben Q. Baragiola; Timothy W. Schmidt; Jared H. Cole; Salvy P. Russo

doi:10.1021/acs.jpcc.9b08203

First-Principles Calculation of Triplet Exciton Diffusion in Crystalline Poly(p-phenylene vinylene)

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.9b08203 ◽

2019 ◽

Vol 123 (44) ◽

pp. 26831-26841 ◽

Cited By ~ 1

Author(s):

Igor Lyskov ◽

Egor Trushin ◽

Ben Q. Baragiola ◽

Timothy W. Schmidt ◽

Jared H. Cole ◽

...

Keyword(s):

First Principles ◽

Triplet Exciton ◽

First Principles Calculation ◽

Phenylene Vinylene ◽

Exciton Diffusion

Download Full-text

Triplet exciton diffusion in metalorganic phosphorescent host-guest systems from first principles

Physical Review B ◽

10.1103/physrevb.99.205201 ◽

2019 ◽

Vol 99 (20) ◽

Cited By ~ 6

Author(s):

Xander de Vries ◽

Pascal Friederich ◽

Wolfgang Wenzel ◽

Reinder Coehoorn ◽

Peter A. Bobbert

Keyword(s):

First Principles ◽

Triplet Exciton ◽

Exciton Diffusion

Download Full-text

First-principles calculation of the three-dimensional band structure of poly(phenylene vinylene)

Physical Review B ◽

10.1103/physrevb.47.1800 ◽

1993 ◽

Vol 47 (4) ◽

pp. 1800-1810 ◽

Cited By ~ 100

Author(s):

P. Gomes da Costa ◽

R. G. Dandrea ◽

E. M. Conwell

Keyword(s):

Band Structure ◽

First Principles ◽

Three Dimensional ◽

First Principles Calculation ◽

Phenylene Vinylene

Download Full-text

FIRST PRINCIPLES CALCULATION OF THE PHONON SPECTRA OF SOLIDS

Le Journal de Physique Colloques ◽

10.1051/jphyscol:19816181 ◽

1981 ◽

Vol 42 (C6) ◽

pp. C6-625-C6-627 ◽

Cited By ~ 2

Author(s):

P. E. Van Camp ◽

V. E. Van Doren ◽

J. T. Devreese

Keyword(s):

First Principles ◽

First Principles Calculation ◽

Phonon Spectra

Download Full-text

First-Principles Calculation of a Chloride Susceptibility Index as a Scientific Descriptor for Repassivation Property of Corrosion Resistant Alloys

SSRN Electronic Journal ◽

10.2139/ssrn.3581344 ◽

2020 ◽

Author(s):

Huibin Ke ◽

Tianshu Li ◽

Pin Lu ◽

Gerald S. Frankel ◽

Christopher D. Taylor

Keyword(s):

First Principles ◽

First Principles Calculation ◽

Corrosion Resistant ◽

Susceptibility Index

Download Full-text

A FIRST-PRINCIPLES CALCULATION OF THE MAGNETIC MOMENT AND ELECTRONIC STRUCTURE FOR SELECTED HALF-HEUSLER ALLOYS

Modern Trends in Physics Research ◽

10.1142/9789814317511_0005 ◽

2011 ◽

Author(s):

SAMY H. ALY ◽

RIHAM SHAPARA ◽

SHERIF YEHIA

Keyword(s):

Electronic Structure ◽

Magnetic Moment ◽

First Principles ◽

Heusler Alloys ◽

First Principles Calculation

Download Full-text

First-principles calculation of the structural, electronic and optical properties of GaSe_(1-x) S_(x) (x = 0, 0.25, 0.5 and 1) compounds

Advances in Materials and Processing Technologies ◽

10.1080/2374068x.2021.1939991 ◽

2021 ◽

pp. 1-13

Author(s):

Mohamed Al-Hattab ◽

L’Houcine Moudou ◽

younes Chrafih ◽

Khalid Rahmani ◽

Mohammed Khenfouch ◽

...

Keyword(s):

Optical Properties ◽

First Principles ◽

First Principles Calculation ◽

Electronic And Optical Properties

Download Full-text

First-principles calculation of electronic, vibrational, and thermodynamic properties of triaminoguanidinium nitrate

Journal of Molecular Modeling ◽

10.1007/s00894-021-04803-3 ◽

2021 ◽

Vol 27 (6) ◽

Author(s):

Wen-Guang Li ◽

Yun-Dan Gan ◽

Zhi-Xin Bai ◽

Ming-Jian Zhang ◽

Fu-Sheng Liu ◽

...

Keyword(s):

Thermodynamic Properties ◽

First Principles ◽

First Principles Calculation

Download Full-text

Device-Based Probe of Triplet Exciton Diffusion in Singlet Fission Materials

The Journal of Physical Chemistry Letters ◽

10.1021/acs.jpclett.0c02825 ◽

2021 ◽

Vol 12 (3) ◽

pp. 966-972

Author(s):

Tao Zhang ◽

Deepesh Rai ◽

Russell J. Holmes

Keyword(s):

Triplet Exciton ◽

Singlet Fission ◽

Exciton Diffusion

Download Full-text

First principles calculation of resistive random access memory based on multi-layer 2H phase molybdenum disulfide resistive layer

2021 4th International Conference on Electron Device and Mechanical Engineering (ICEDME) ◽

10.1109/icedme52809.2021.00013 ◽

2021 ◽

Author(s):

Renjie Ding ◽

Yuehua Dai ◽

Jianhua Gao ◽

Lihua Huang ◽

Peng Wang

Keyword(s):

Molybdenum Disulfide ◽

First Principles ◽

Random Access ◽

Random Access Memory ◽

Resistive Random Access Memory ◽

First Principles Calculation ◽

Access Memory ◽

Resistive Layer

Download Full-text

Experimental study, first-principles calculation and thermodynamic modelling of the Cr–Fe–Nb–Sn–Zr quinary system for application as cladding materials in nuclear reactors.

Journal of Nuclear Materials ◽

10.1016/j.jnucmat.2020.152692 ◽

2021 ◽

Vol 544 ◽

pp. 152692

Author(s):

Paul Lafaye ◽

Caroline Toffolon-Masclet ◽

Jean-Claude Crivello ◽

Jean-Marc Joubert

Keyword(s):

Experimental Study ◽

First Principles ◽

Nuclear Reactors ◽

Thermodynamic Modelling ◽

First Principles Calculation ◽

Quinary System

Download Full-text