TY  - BOOK
AU  - Meshhal, Moyassar
PY  - 2023
DA  - 2023//
TI  - Computational perspectives on environmental applications of two-dimensional materials
PB  - Universität Rostock
CY  - Rostock
AB  - 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>
UR  - https://purl.uni-rostock.de/rosdok/id00004724
UR  - https://nbn-resolving.org/urn:nbn:de:gbv:28-rosdok_id00004724-9
UR  - https://d-nb.info/135515054X/34
UR  - https://doi.org/10.18453/rosdok_id00004724
DO  - 10.18453/rosdok_id00004724
LA  - English
N1  - vorgelegt von Moyassar Meshhal
ID  - 1915682223
ER  -