Engineering metal-carbide hydrogen traps in steels

PY Liu, B Zhang, R Niu, SL Lu, C Huang… - Nature …, 2024 - nature.com
Hydrogen embrittlement reduces the durability of the structural steels required for the
hydrogen economy. Understanding how hydrogen interacts with the materials plays a …

Hydrogen trapping of carbides during high temperature gaseous hydrogenation

L Vandewalle, T Depover, K Verbeken - International Journal of Hydrogen …, 2023 - Elsevier
This study evaluates the hydrogen absorption and trapping in carbide containing steels from
a very low hydrogen partial pressure atmosphere at elevated temperatures. Two generic …

Hydrogen trapping and storage in the group IVB-VIB transition metal carbides

R Salehin, GB Thompson, CR Weinberger - Materials & Design, 2022 - Elsevier
The transition metal carbides have been known to act as traps for hydrogen in steels as well
as potential materials for hydrogen storage. Despite numerous experimental and a few …

Current state-of-the-art of hydrogen trapping by carbides: From theory to experiment

L Vandewalle, T Depover, K Verbeken - International Journal of Hydrogen …, 2024 - Elsevier
This study reviews the interactions of hydrogen with carbides. Often, the introduction of well-
chosen carbides is suggested as a strategy in the development of steels with higher …

[HTML][HTML] First-Principles study of hydrogen-Carbide interaction in bcc Fe

S Sagar, MHF Sluiter, P Dey - international journal of hydrogen energy, 2024 - Elsevier
Rapid developments in the field of hydrogen energy have prompted the need for safe and
efficient hydrogen transportation and storage. Steels form the backbone of the current …

[HTML][HTML] Hydrogen trapping in vanadium carbide alloyed with transition metals

S Tang, L Li, H Yan, J Jin, Q Peng, M Cai, J Li… - Nuclear Materials and …, 2023 - Elsevier
The mechanism of hydrogen trapping in carbides via transition metal alloying is essential for
material design of hydrogen barrier coatings in hydrogen energy applications, which …

Fundamental properties of hydrogen at PdCu–Mo2C interfaces from first principles calculations

L Liu, S Zhou, H Gong - International Journal of Hydrogen Energy, 2023 - Elsevier
First principles calculation have been carried out to comparatively examine the hydrogen
solubility, hydrogen diffusion, and hydrogen permeability, as well as the interface strength at …

First-principles insights into hydrogen trapping in interstitial-vacancy complexes in vanadium carbide

S Tang, L Li, Q Peng, M Cai, J Li, Z Liu… - Physical Chemistry …, 2022 - pubs.rsc.org
Hydrogen trapping is a key factor in designing advanced vanadium alloys and steels, where
the influence of carbon vacancies is still elusive. Herein we have investigated the effect of …

First-principles study of hydrogen trapping and diffusion mechanisms in vanadium carbide with connecting carbon vacancies

L Li, H Lan, S Tang, H Yan, F Tan… - International Journal of …, 2024 - Elsevier
Understanding the trapping and diffusion mechanism of hydrogen in vanadium carbide (VC)
precipitates is crucial for exploring the issue of hydrogen embrittlement in steel. Although …

Hydrogen diffusion and storage in substoichiometric TiC

JC Stotts, R Salehin, IN Bakst, GB Thompson… - International Journal of …, 2024 - Elsevier
In this paper we investigate the nature of hydrogen diffusion in substoichiometric TiC using
simulations. Specifically, we examine how well connected the carbon structural vacancies …