Zobrazeno 1 - 10
of 59
pro vyhledávání: '"Kuc, A. B."'
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 hydrogen research to new heights, enabling it to tunnel through layers of 2DC
Externí odkaz:
http://arxiv.org/abs/2308.03418
Autor:
Woźniak, Tomasz, Asghar, Umm-e-hani, Junior, Paulo E. Faria, Ramzan, Muhammad S., Kuc, Agnieszka B.
MA2Z4 monolayers form a new class of hexagonal non-centrosymmetric materials hosting extraordinary spin-valley physics. While only two compounds (MoSi2N4 and WSi2N4) were recently synthesized, theory predicts interesting (opto)electronic properties o
Externí odkaz:
http://arxiv.org/abs/2210.10679
The field of 2D materials has gained a lot of attention for vast range of applications. Amongst others, the sensing ability towards harmful gases is the application, which we explored in the present work using quantum-mechanical simulations for the S
Externí odkaz:
http://arxiv.org/abs/2104.07702
In van der Waals heterostructures of two-dimensional transition-metal dichalcogenides (2D TMDCs) electron and hole states are spatially localized in different layers forming long-lived interlayer excitons. Here, we have investigated, from first princ
Externí odkaz:
http://arxiv.org/abs/2011.01198
Autor:
Lukose, Binit, Supronowicz, Barbara, Petkov, Petko St., Frenzel, Johannes, Kuc, Agnieszka B., Seifert, Gotthard, Vayssilov, Georgi N., Heine, Thomas
Publikováno v:
Physica Status Solidi B 249 2012 335
Density-functional based tight-binding is a powerful method to describe large molecules and materials. Metal-Organic Frameworks (MOFs), materials with interesting catalytic properties and with very large surface areas have been developed and have bec
Externí odkaz:
http://arxiv.org/abs/1109.5312
Akademický článek
Tento výsledek nelze pro nepřihlášené uživatele zobrazit.
K zobrazení výsledku je třeba se přihlásit.
K zobrazení výsledku je třeba se přihlásit.
Publikováno v:
Advanced Materials Interfaces; 2/2/2024, Vol. 11 Issue 4, p1-6, 6p
Publikováno v:
Publication year 2023License: Creative Commons Attribution 4.0 InternationalHosted on ZENODO: Link to location
Geometry optimization Directory `calc_structure_optimization_ReaxFF`: calculation files of the structure optimization of all studied structures, done with ReaxFF. Directory `calc_structure_optimization_DFT`: validation calculation files of the ReaxFF
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=od______4577::55002cd3217e0acb86775c8fa69652ee
https://www.hzdr.de/publications/Publ-37276-1
https://www.hzdr.de/publications/Publ-37276-1
Publikováno v:
npj 2D Materials and Applications 7(2023), 49
In graphene, charged defects break the electron-hole symmetry and can even give rise to exotic collapse states when the defect charge exceeds a critical value which is proportional to the Fermi velocity. In this work, we investigate the electronic pr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=od______4577::0c162b745e923ccebec2ccc599b066ad
https://www.hzdr.de/publications/Publ-35364-1
https://www.hzdr.de/publications/Publ-35364-1
Publikováno v:
Small 19(2023)19, 2206444
Publication year 2023License: CC-BY-3.0Hosted on NOMAD: Link to location
Publication year 2023License: CC-BY-3.0Hosted on NOMAD: Link to location
MA2Z4 monolayers form a new class of hexagonal non-centrosymmetric materials hosting extraordinary spin-valley physics. While only two compounds (MoSi2N4 and WSi2N4) were recently synthesized, theory predicts interesting (opto)electronic properties o
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::447d0253d9a65e9baad46a287aebf81a
https://www.hzdr.de/publications/Publ-35335-1
https://www.hzdr.de/publications/Publ-35335-1