Computational perspectives on environmental applications of two-dimensional materials
2D 2-dimensional
Meshhal, Moyassar
1989-
VerfasserIn
aut
Kühn, Oliver
1964-
AkademischeR BetreuerIn
dgs
Ahmed, Ashour Abdelaal Mahmoud
1983-
AkademischeR BetreuerIn
dgs
Heine, Thomas
1970-
AkademischeR BetreuerIn
dgs
Universität Rostock
Grad-verleihende Institution
dgg
Universität Rostock
Mathematisch-Naturwissenschaftliche Fakultät
Grad-verleihende Institution
dgg
text
theses
Text
Hochschulschrift
gw
2023
monographic
XA-DE
Rostock
Universität Rostock
publisher
11.12.2023
Rostock
Universitätsbibliothek Rostock
distributor
eng
ger
application/pdf
1 Online-Ressource (xxi, 128 Seiten) Illustrationen, Diagramme
This thesis explores 2D materials for environmental remediation through three case studies. First, water diffusion in graphene oxide layers, studied via xTB-based MD simulations, shows inter-layer H-bonded bridges slow diffusion, impacting membrane technology and selective separation. Second, polymers at the graphene/water interface reveal graphene's potential to adsorb nanoplastics, opening avenues for further research. Third, DFT calculations show antimonene can capture toxic TCDD molecules, enhanced by dopants. These studies advance 2D materials' applications in environmental remediation.<eng>
Open Access
Urheberrechtsschutz 1.0
vorgelegt von Moyassar Meshhal
GutachterInnen: Oliver Kühn (Universität Rostock) ; Ashour Ahmed (Universität Rostock) ; Thomas Heine (Technische Universität Dresden)
Dissertation Universität Rostock 2024
530
541
540
https://purl.uni-rostock.de/rosdok/id00004724
https://doi.org/10.18453/rosdok_id00004724
https://nbn-resolving.org/urn:nbn:de:gbv:28-rosdok_id00004724-9
https://d-nb.info/135515054X/34
Computational perspectives on environmental applications of two-dimensional materials
Rostock : Universität Rostock, 2023
Druck-Ausgabe
(DE-627)191569275X
Meshhal, Moyassar, 1989 -
urn:nbn:de:gbv:28-rosdok_id00004724-9
10.18453/rosdok_id00004724
1491238738
rda
DE-627
250127
1915682223
20251227T183740.0
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