α-Silicene as oxidation-resistant ultra-thin coating material

Autor: Ali Kandemir, Fadil Iyikanat, Cihan Bacaksiz, Hasan Sahin

Publikováno v: Beilstein Journal of Nanotechnology, Vol 8, Iss 1, Pp 1808-1814 (2017)

By performing density functional theory (DFT)-based calculations, the performance of α-silicene as oxidation-resistant coating on Ag(111) surface is investigated. First of all, it is shown that the Ag(111) surface is quite reactive against O atoms a

Externí odkaz: https://doaj.org/article/d7e4b9c34afe4abe9fe0a156bfb91ec4

Tuning Magnetic Anisotropy in Two-Dimensional Metal–Semiconductor Janus van der Waals Heterostructures

Autor: Thomas Frauenheim, Arkamita Bandyopadhyay, Cihan Bacaksiz, Junjie He

Publikováno v: The Journal of Physical Chemistry Letters. 12:11308-11315

In the family of 2D materials, atomically thin magnetic systems are relatively new and highly exploitable. Understanding the spin symmetry in such materials has opened a new path toward controlling the magnetic texture. In this study, we have shown t

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9896e1f1a88ea1db2f784acf138375f0
https://doi.org/10.1021/acs.jpclett.1c03349

Ion exchange in atomically thin clays and micas

Autor: Lucas Mogg, Roman V. Gorbachev, M. Lozada-Hidalgo, Yi-Chi Wang, Yichao Zou, Rahul Raveendran-Nair, S. P. Milovanović, Guang-Ping Hao, Sarah J. Haigh, Cihan Bacaksiz, Nick Clark, François M. Peeters, Kostya S. Novoselov, David G. Hopkinson, Samuel Shaw, Vishnu Sreepal

Publikováno v: Zou, Y, Mogg, L, Clark, N, Bacaksiz, C, Milanovic, S, Sreepal, V, Hao, G, Wang, Y, Hopkinson, D G, Gorbachev, R, Shaw, S, Novoselov, K S, Raveendran-nair, R, Peeters, F M, Lozada-hidalgo, M & Haigh, S J 2021, ' Ion exchange in atomically thin clays and micas ', Nature Materials . https://doi.org/10.1038/s41563-021-01072-6
Nature Materials
Nature materials

Clays and micas are receiving attention as materials that, in their atomically thin form, could allow for novel proton conductive, ion selective, osmotic power generation, or solvent filtration membranes. The interest arises from the possibility of c

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::371952c3cab8e1a9ecb5c744a6becfea
https://research.manchester.ac.uk/en/publications/118b8a04-8fc5-48eb-8150-0e3ad6327785

Ab initio methodology for magnetic exchange parameters: Generic four-state energy mapping onto a Heisenberg spin Hamiltonian

Autor: Cihan Bacaksiz, Milorad V. Milošević, Denis Sabani

Publikováno v: Physical review B

The recent development in the field of 2D magnetic materials urges reliable theoretical methodology for determination of magnetic properties. Among the available methods, ab initio four-state energy mapping based on Density Functional Theory stands o

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::209b21e6702d4545b9ee4ce514113183
https://doi.org/10.1103/physrevb.102.014457

Proton and Li-Ion Permeation through Graphene with Eight-Atom-Ring Defects

Autor: Jun-Hao Cai, Gopinadhan Kalon, Andrey Turchanin, Barbaros Özyilmaz, Lucas Mogg, Hui-Min Cheng, Eoin Griffin, Wencai Ren, Cihan Bacaksiz, Ute Kaiser, François M. Peeters, Junhao Lin, Victor Guarochico, Jong Hak Lee, Irina V. Grigorieva, Tianya Zhou, M. Lozada-Hidalgo, Guillermo Lopez-Polin, Michael J. Mohn, Andreas Winter, Kazu Suenaga, Christof Neumann, Andre K. Geim, Guang-Ping Hao

Publikováno v: ACS NANO
ACS nano
Griffin, E, Mogg, L, Hao, G, Kalon, G, Bacaksiz, C, Lopez-polin, G, Zhou, T Y, Guarochico, V, Cai, J, Neumann, C, Winter, A, Mohn, M, Lee, J H, Lin, J, Kaiser, U, Grigorieva, I V, Suenaga, K, Ozyilmaz, B, Cheng, H, Ren, W, Turchanin, A, Peeters, F M, Geim, A K & Lozada-hidalgo, M 2020, ' Proton and Li-Ion Permeation through Graphene with Eight-Atom-Ring Defects ', ACS Nano . https://doi.org/10.1021/acsnano.0c02496

Defect-free graphene is impermeable to gases and liquids but highly permeable to thermal protons. Atomic-scale defects such as vacancies, grain boundaries, and Stone-Wales defects are predicted to enhance graphene's proton permeability and may even a

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::56f38f0bd78c1aab2bf46657069dac1b