Zobrazeno 1 - 2
of 2
pro vyhledávání: '"Ulrik Leffers"'
Publikováno v:
Nature Communications, Vol 11, Iss 1, Pp 1-10 (2020)
The authors develop a first-principles workflow for calculating Raman spectra of 733 monolayers from the computational 2D materials database. After benchmarking results against experimental data for 15 monolayers, an automatic procedure for identifyi
Externí odkaz:
https://doaj.org/article/95e97dc7dc604ee2a417de109e7e3783
Publikováno v:
Taghizadeh, A, Leffers, U, Pedersen, T G & Thygesen, K S 2020, ' A library of ab initio Raman spectra for automated identification of 2D materials ', Nature Communications, vol. 11, no. 1, 3011 . https://doi.org/10.1038/s41467-020-16529-6
Nature Communications, Vol 11, Iss 1, Pp 1-10 (2020)
Nature Communications
Nature Communications, Vol 11, Iss 1, Pp 1-10 (2020)
Nature Communications
Raman spectroscopy is frequently used to identify composition, structure and layer thickness of 2D materials. Here, we describe an efficient first-principles workflow for calculating resonant first-order Raman spectra of solids within third-order per
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::951d38879a28a9539a467dd2df221b75
https://orbit.dtu.dk/en/publications/f91991c5-7f7e-4750-b739-62c8ef93801a
https://orbit.dtu.dk/en/publications/f91991c5-7f7e-4750-b739-62c8ef93801a
