scholarly journals First-principles study of ground- and excited-state properties ofMgO,ZnO, andCdOpolymorphs

2006 ◽  
Vol 73 (24) ◽  
Author(s):  
A. Schleife ◽  
F. Fuchs ◽  
J. Furthmüller ◽  
F. Bechstedt
Keyword(s):  
Excited State ◽  
First Principles ◽  
First Principles Study

scholarly journals First-principles study of the excited-state properties of coumarin-derived dyes in dye-sensitized solar cells

2011 ◽  
Vol 21 (30) ◽  
pp. 11101 ◽  
Author(s):  
Saurabh Agrawal ◽  
Pratibha Dev ◽  
Niall J. English ◽  
K. Ravindranathan Thampi ◽  
J. M. D. MacElroy
Keyword(s):  
Solar Cells ◽  
Excited State ◽  
First Principles ◽  
Dye Sensitized Solar Cells ◽  
Dye Sensitized ◽  
First Principles Study ◽  
Sensitized Solar Cells

First-Principles Study of Excited State Evolution in a Protected Gold Complex

2013 ◽  
Vol 117 (22) ◽  
pp. 11837-11842 ◽  
Author(s):  
A. Ojanperä ◽  
M. J. Puska ◽  
O. Lopez-Acevedo
Keyword(s):  
Excited State ◽  
First Principles ◽  
Gold Complex ◽  
First Principles Study ◽  
State Evolution

Strain tuned high thermal conductivity in boron phosphide at nanometer length scales – a first-principles study

2020 ◽  
Vol 22 (36) ◽  
pp. 20914-20921 ◽  
Author(s):  
Rajmohan Muthaiah ◽  
Jivtesh Garg
Keyword(s):  
Thermal Conductivity ◽  
First Principles ◽  
High Thermal Conductivity ◽  
Biaxial Strain ◽  
Length Scales ◽  
First Principles Study ◽  
Boron Phosphide

We report novel pathways to significantly enhance the thermal conductivity at nanometer length scales in boron phosphide through biaxial strain.

Sign in / Sign up

Export Citation Format

Share Document