Density functional approach for modeling CO2 pressurized polymer thin films in equilibrium

2009 ◽  
Vol 130 (8) ◽  
pp. 084902 ◽  
Author(s):  
Manish Talreja ◽  
Isamu Kusaka ◽  
David L. Tomasko
Keyword(s):  
Thin Films ◽  
Density Functional ◽  
Polymer Thin Films ◽  
Functional Approach

Thermodynamic Stability of Hexagonal and Rhombohedral Bn at Cvd Conditions from Van der Waals Corrected First Principles Calculations

2019 ◽  
Author(s):  
Henrik Pedersen ◽  
Björn Alling ◽  
Hans Högberg ◽  
Annop Ektarawong
Keyword(s):  
Thin Films ◽  
Thermodynamic Stability ◽  
First Principles ◽  
Thermal Equilibrium ◽  
Density Functional ◽  
Van Der Waals ◽  
Chemical Vapor ◽  
First Principles Calculations ◽  
Functional Theory ◽  
The Stability

Thin films of boron nitride (BN), particularly the sp<sup>2</sup>-hybridized polytypes hexagonal BN (h-BN) and rhombohedral BN (r-BN) are interesting for several electronic applications given band gaps in the UV. They are typically deposited close to thermal equilibrium by chemical vapor deposition (CVD) at temperatures and pressures in the regions 1400-1800 K and 1000-10000 Pa, respectively. In this letter, we use van der Waals corrected density functional theory and thermodynamic stability calculations to determine the stability of r-BN and compare it to that of h-BN as well as to cubic BN and wurtzitic BN. We find that r-BN is the stable sp<sup>2</sup>-hybridized phase at CVD conditions, while h-BN is metastable. Thus, our calculations suggest that thin films of h-BN must be deposited far from thermal equilibrium.

scholarly journals Molecular aggregation states of crystalline fluorinated polymer thin films

2008 ◽  
Vol 64 (a1) ◽  
pp. C560-C560
Author(s):  
K. Honda ◽  
M. Morita ◽  
S. Sasaki ◽  
O. Sakata ◽  
A. Takahara
Keyword(s):  
Thin Films ◽  
Polymer Thin Films ◽  
Molecular Aggregation ◽  
Fluorinated Polymer

Close-Packed Colloidal Monolayers of Ultra-Smooth Gold Nanospheres by Controlled Trapping onto Polymer Thin Films

2018 ◽  
Vol 26 (6) ◽  
pp. 539-543 ◽  
Author(s):  
Jun-Min Kim ◽  
Dae-Woong Jung ◽  
Gaehang Lee ◽  
Gi-Ra Yi
Keyword(s):  
Thin Films ◽  
Polymer Thin Films ◽  
Gold Nanospheres

A diffraction-based degradation sensor for polymer thin films

2017 ◽  
Vol 142 ◽  
pp. 102-110 ◽  
Author(s):  
Preetam Anbukarasu ◽  
Diana Isabel Martínez-Tobón ◽  
Dominic Sauvageau ◽  
Anastasia Leila Elias
Keyword(s):  
Thin Films ◽  
Polymer Thin Films
Sign in / Sign up

Export Citation Format

Share Document