activity
20112024
most citedHow does quantum confinement influence the electronic structure of transition metal sulfides TmS2

1.8k citations · 4.7k across the 38 of their papers we have counts for

collaborators

38 papers

cond-mat.mtrl-sci2024

Computational guide to optimize electric conductance in MoS films

Alireza Ghasemifard, Agnieszka Kuc, Thomas Heine

Molybdenum disulfide (MoS) is a high-potential material for nanoelectronic applications, especially when thinned to a few layers. Liquid phase exfoliation enables large-scale f…

cond-mat.mtrl-sci2024★ 1 cited

Electronic Structure and Topology in Gulf-edged Zigzag Graphene Nanoribbons

Tsai-Jung Liu, Florian M. Arnold, Alireza Ghasemifard +4

With advanced synthetic techniques, a wide variety of well-defined graphene nano-ribbons (GNRs) can be produced with atomic precision. Hence, finding the relation between their str…

physics.chem-ph2023

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…

cond-mat.mtrl-sci2023

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…

cond-mat.mtrl-sci2023★ 33 cited

Relaxation effects in twisted bilayer molybdenum disulfide: structure, stability, and electronic properties

Florian M. Arnold, Alireza Ghasemifard, Agnieszka Kuc +2

Manipulating the interlayer twist angle is a powerful tool to tailor the properties of layered two-dimensional crystals. The twist angle has a determinant impact on these systems'…

cond-mat.mes-hall2022★ 83 cited

Probing defects and spin-phonon coupling in CrSBr via resonant Raman scattering

Kierstin Torres, Agnieszka Kuc, Lorenzo Maschio +6

Understanding the stability limitations and defect formation mechanisms in 2D magnets is essential for their utilization in spintronic and memory technologies. Here, we correlate d…