Titanium(II) as a Fuel Atom in Energetic Materials.

Inorg Chem

Department of Chemistry, Temple University, 1901 N. 13th St., Philadelphia, Pennsylvania 19122, United States.

Published: June 2023

The energetic content of the compounds MgTp, FeTp, MnTp, and TiTp is measured by bomb calorimetry and compared to theoretical calculations (Tp = trispyrazoylborate). TiTp had the largest heat of combustion of the four compounds. Comparison of the heat of combustion of the Ti complex to those of Mg and Mn complexes suggests an effective combustion energy of Ti of between 1400 and 3000 kJ/mol, affirming the role of Ti as a strong fuel atom.

Download full-text PDF

Source
http://dx.doi.org/10.1021/acs.inorgchem.2c04367DOI Listing

Publication Analysis

Top Keywords

fuel atom
8
heat combustion
8
titaniumii fuel
4
atom energetic
4
energetic materials
4
materials energetic
4
energetic content
4
content compounds
4
compounds mgtp
4
mgtp fetp
4

Similar Publications

Single-atom catalysts (SACs) with high metal loadings are highly desirable but still challenging for large scale synthesis. Here we report a new technique named as dry-solid-electrochemical synthesis (DSES) for a general large-scale synthesis of SACs with high metal loadings in an energy-conservation and environment-friendly way. With it, a series of pure carbon-supported metal SACs (Platinum up to 35.

View Article and Find Full Text PDF

Conventional versus Unconventional Oxygen Reduction Reaction Intermediates on Single Atom Catalysts.

ACS Appl Mater Interfaces

January 2025

Departament de Ciència de Materials i Química Física & Institut de Química Teòrica i Computacional (IQTCUB), Universitat de Barcelona, c/Martí i Franquès 1-11, Barcelona 08028, Spain.

The oxygen reduction reaction (ORR) stands as a pivotal process in electrochemistry, finding applications in various energy conversion technologies such as fuel cells, metal-air batteries, and chlor-alkali electrolyzers. Hereby, a comprehensive density functional theory (DFT) investigation is presented into the proposed conventional and unconventional ORR mechanisms using single-atom catalysts (SACs) supported on nitrogen-doped graphene (NG) as model systems. Several reaction intermediates have been identified that appear to be more stable than the ones postulated in the conventional mechanism, which follows the *OOH, *O, and *OH intermediates.

View Article and Find Full Text PDF

The evolution of bifunctional catalysts for the oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) catalysts that are highly active, stable, and conductive is crucial for advancing metal-air batteries and fuel cells. We have here thoroughly explored the OER and ORR performance for a category of two-dimensional (2D) metal-organic frameworks (MOFs) called TM(HADQ), and Rh(HADQ) exhibits a promising bifunctional OER/ORR activity, with an overpotential of 0.31 V for both OER and ORR.

View Article and Find Full Text PDF

Untangling the role of single-atom substitution on the improvement of the hydrogen evolution reaction of YNS MXene in acidic media.

Phys Chem Chem Phys

January 2025

Departamento de Física Aplicada - Instituto de Ciencia de Materiales, Matter at High Pressure (MALTA) Consolider Team, Universidad de Valencia, Edificio de Investigación, C/Dr Moliner 50, Burjassot, 46100, Valencia, Spain.

The production of hydrogen (H) fuel through electrocatalysis is emerging as a sustainable alternative to conventional and environmentally harmful energy sources. However, the discovery of cost-effective and efficient materials for this purpose remains a significant challenge. In this study, we explore the potential of the transition-metal-substituted YNS MXene as a promising candidate for hydrogen production through the hydrogen evolution reaction (HER).

View Article and Find Full Text PDF

Layered double hydroxide modified bismuth vanadate as an efficient photoanode for enhancing photoelectrochemical water splitting.

Mater Horiz

January 2025

Department of Electrical and Electronic Information Engineering, Toyohashi University of Technology, 1-1 Hibarigaoka, Tempaku-cho, Toyohashi, 441-8580, Aichi, Japan.

Photoelectrochemical (PEC) water splitting has attracted significant interest as a promising approach for producing clean and sustainable hydrogen fuel. An efficient photoanode is critical for enhancing PEC water splitting. Bismuth vanadate (BiVO) is a widely recognized photoanode for PEC applications due to its visible light absorption, suitable valence band position for water oxidation, and outstanding potential for modifications.

View Article and Find Full Text PDF

Want AI Summaries of new PubMed Abstracts delivered to your In-box?

Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!