| Abstract Scope |
Tritium, a radioactive by-product of nuclear fission, poses substantial radiological and environmental risks if released into the atmosphere. In High-Temperature Gas-Cooled Reactors (HTGRs), its safe capture and control are critical for ensuring reactor safety and meeting regulatory requirements. To address this challenge, the present study examines titanium-based materials as promising candidates for tritium adsorption, using Density Functional Theory (DFT) as the principal investigative tool.
Both pristine titanium surfaces and titanium systems modified with supports and promoters are systematically analyzed to evaluate adsorption efficiency and isotope selectivity. Oxide- and carbon-based supports are considered with respect to their influence on the electronic structure, surface charge distribution, and binding energetics of titanium surfaces. In addition, promoter elements are explored for their role in strengthening hydrogen isotope interactions and enhancing surface reactivity. This combined strategy highlights possible synergistic effects that enhance the overall tritium capture performance of titanium-based systems.
The findings indicate that structural modifications to titanium surfaces substantially alter their adsorption behavior. Certain oxide and carbon supports improve binding strength and charge transfer characteristics, while selected promoter elements increase the stability of hydrogen isotope interactions. Together, these effects contribute to improved selectivity and greater adsorption efficiency.
This study offers fundamental insights into the mechanisms underlying tritium capture in titanium-based systems, thereby supporting the safer and more sustainable deployment of next-generation nuclear reactors. |