Increasing Oxygen Balance Leads to Enhanced Performance in Environmentally Acceptable High-Energy Density Materials: Predictions from First-Principles Molecular Dynamics Simulations-Reference-Cited by-同舟云学术

Increasing Oxygen Balance Leads to Enhanced Performance in Environmentally Acceptable High-Energy Density Materials: Predictions from First-Principles Molecular Dynamics Simulations

Published:2022-01-18 Issue:4 Volume:14 Page:5257-5264
ISSN:1944-8244
Container-title:ACS Applied Materials & Interfaces
language:en
Short-container-title:ACS Appl. Mater. Interfaces

Author:

Guo Dezhou¹²^ORCID,Zybin Sergey V.¹,Chafin Andrew P.³,Goddard William A.¹^ORCID

Affiliation:

1. Materials and Process Simulation Center, California Institute of Technology, Pasadena, California 91125, United States

2. The Gene & Linda Voiland School of Chemical Engineering and Bioengineering, Washington State University, Pullman, Washington 99164, United States

3. Research Department, Chemistry Division, Naval Air Warfare Center Weapons Division (NAWCWD), 1900 N. Knox Rd. Stop 6303, China Lake, California 93555, United States

Funder

Office of Naval Research

Publisher

American Chemical Society (ACS)

Subject

General Materials Science

Link

https://pubs.acs.org/doi/pdf/10.1021/acsami.1c20600

Reference36 articles.

1. A review of advanced high performance, insensitive and thermally stable energetic materials emerging for military and space applications

2. Trinitromethyl-Substituted 5-Nitro- or 3-Azo-1,2,4-triazoles: Synthesis, Characterization, and Energetic Properties

3. A new design strategy for high-energy low-sensitivity explosives: combining oxygen balance equal to zero, a combination of nitro and amino groups, and N-oxide in one molecule of 1-amino-5-nitrotetrazole-3N-oxide