Zobrazeno 1 - 3
of 3
pro vyhledávání: '"August Edwards Guldberg Mikkelsen"'
Autor:
Ivano E. Castelli, Tejs Vegge, August Edwards Guldberg Mikkelsen, Felix T. Bölle, Kristian Sommer Thygesen
Publikováno v:
Guldberg Mikkelsen, A E, Bölle, F T, Thygesen, K S, Vegge, T & Castelli, I E 2021, ' Band structure of MoSTe Janus nanotubes ', Physical Review Materials, vol. 5, no. 1, 014002 . https://doi.org/10.1103/PhysRevMaterials.5.014002
Nanotubes generated by rolling up transition metal dichalcogenide Janus monolayers are a new class of low-dimensional materials, which are expected to display unique electronic properties compared to their parent two- and three-dimensional structures
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::66d903850097adc3f587d4c3574cb652
https://orbit.dtu.dk/en/publications/62bc6c6d-43c6-4114-8bbf-ddd17601c6d1
https://orbit.dtu.dk/en/publications/62bc6c6d-43c6-4114-8bbf-ddd17601c6d1
Publikováno v:
Mikkelsen, A E G, Schiøtz, J, Vegge, T & Jacobsen, K W 2021, ' Is the water-Pt(111) interface ordered at room temperature? ', Journal of Chemical Physics, vol. 155, no. 22 . https://doi.org/10.1063/5.0077580
The structure of the water/Pt(111) interface has been a subject of debate over the past decades. Here, we report the results of a room temperature molecular dynamics study based on neural network potentials, which allow us to access long time scale s
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fdf97cb862882efa7b077c01c3ed830d
https://orbit.dtu.dk/en/publications/afd95d23-28ac-4d86-b5f7-6496c1265438
https://orbit.dtu.dk/en/publications/afd95d23-28ac-4d86-b5f7-6496c1265438
Autor:
Tejs Vegge, August Edwards Guldberg Mikkelsen, Kristian Sommer Thygesen, Felix T. Bölle, Ivano E. Castelli
Publikováno v:
Bölle, F T, Mikkelsen, A E G, Thygesen, K S, Vegge, T & Castelli, I E 2021, ' Structural and chemical mechanisms governing stability of inorganic Janus nanotubes ', npj Computational Materials, vol. 7, no. 1, 41 . https://doi.org/10.1038/s41524-021-00505-9
npj Computational Materials, Vol 7, Iss 1, Pp 1-8 (2021)
npj Computational Materials, Vol 7, Iss 1, Pp 1-8 (2021)
One-dimensional inorganic nanotubes hold promise for technological applications due to their distinct physical/chemical properties, but so far advancements have been hampered by difficulties in producing single-wall nanotubes with a well-defined radi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ed1915037b1c605994cae9bfecfa3473