4 papers
Capturing Nuclear Quantum Effects in Hydrogen Diffusion through MoS2 via Machine-Learning-Enhanced Path-Integral Simulations
Ismail Eren, Ege Yigit Erbil, Maria-Judith Caisachana-Lozada +3
Hydrogen transport through layered two-dimensional (2D) materials is central to technologies such as hydrogen storage, fuel cells, and isotope separation. Among these materials, Mo…
Graphene structure modification under tritium exposure: 3H chemisorption dominates over defect formation by \b{eta}-radiation
Alexandra Becker, Genrich Zeller, Holger Lippold +6
Potential structural modifications of graphene exposed to gaseous tritium are important for membrane-based hydrogen isotope separation. Such modifications cannot be explained by el…
Giant proton transmembrane transport through sulfophenylated graphene in a direct methanol fuel cell
Weizhe Zhang, Max Makurat, Xue Liu +21
An ideal proton exchange membrane should only permeate protons and be leak tight for fuels. Graphene is impermeable to water and poorly conducting to protons. Here, we chemically f…
Hydrogen Transport Between Layers of Transition Metal-Dichalcogenides
Ismail Eren, Yun An, Agnieszka B. Kuc
Hydrogen is a crucial source of green energy and has been extensively studied for its potential usage in fuel cells. The advent of two-dimensional crystals (2DCs) has taken hydroge…