Zobrazeno 1 - 10
of 63
pro vyhledávání: '"Kristian Berland"'
Autor:
Julian Walker, Elin Dypvik Sødahl, Simon Scherrer, Kenneth Marshall, Dmitry Chernyshov, Kristian Berland, Tadej Rojac
Publikováno v:
JPhys Energy, Vol 6, Iss 2, p 025026 (2024)
Ferroelectric plastic crystals are an emerging class of materials that combine room temperature ferroelectricity and piezoelectricity with a high temperature plastic mesophase prior to melting. These materials offer possibilities for accessing differ
Externí odkaz:
https://doaj.org/article/eebb380b5e6f4d45b6fb13edbece9a0c
Publikováno v:
Electronic Materials, Vol 3, Iss 1, Pp 1-14 (2022)
Low thermal conductivity is an important materials property for thermoelectricity. The lattice thermal conductivity (LTC) can be reduced by introducing sublattice disorder through partial isovalent substitution. Yet, large-scale screening of material
Externí odkaz:
https://doaj.org/article/7351ee7a04df452489ce8d2e01ff9089
Autor:
Yang Li, Robert W. Corkery, Sol Carretero-Palacios, Kristian Berland, Victoria Esteso, Johannes Fiedler, Kimball A. Milton, Iver Brevik, Mathias Boström
Publikováno v:
Physical Chemistry Chemical Physics. 25:6636-6652
Gas hydrates (GHs) in the water-filled rock cavity close to freezing temperatures can be stabilised via the formation of ice layers.
Plastic ionic molecular crystals are a novel class of materials that have attracted recent interest due to the discovery of ferroelectric and piezoelectric properties together with an orientationally disordered mesophase with high plasticity. Despite
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bcd25bb52067c6f5874bca2003605014
https://doi.org/10.26434/chemrxiv-2022-fqhtl
https://doi.org/10.26434/chemrxiv-2022-fqhtl
Publikováno v:
Journal of Chemical Physics
We study the impact of an environment on the electromagnetic responses of a molecule in the presence of a dielectric medium. By applying the dipole–dipole coupling between the molecule’s and the environment’s degrees of freedom, we can reduce t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3c21ad9a42e3a1f5c0c7c105be65a1f3
https://hdl.handle.net/11250/3043898
https://hdl.handle.net/11250/3043898
Publikováno v:
Journal of Chemical Theory and Computation
The fundamental ideas for a non-local density functional theory -- capable of reliably capturing van der Waals interaction -- were already conceived in the 1990's. In 2004, a seminal paper introduced the first practical non-local exchange-correlation
Autor:
Mari-Ann Einarsrud, Thomas Aarflot Storaas, Temesgen Debelo Desissa, Kjell Wiik, Anette Eleonora Gunnæs, Truls Norby, Clas Persson, Matthias Schrade, Sandeep Gorantla, Kristian Berland, Nikola Kanas, Raluca Tofan
Publikováno v:
RSC Advances
An all-oxide thermoelectric generator for high-temperature operation depends on a low electrical resistance of the direct p–n junction. Ca3Co4−xO9+δ and CaMnO3−δ exhibit p-type and n-type electronic conductivity, respectively, and the interfa
Publikováno v:
The Journal of Chemical Physics. 156:244106
Proton-transfer (PT) between organic complexes is a common and important biochemical process. Unfortunately, PT energy barriers are difficult to accurately predict using density functional theory (DFT); in particular, the generalized gradient approxi
Publikováno v:
Electronic Structure
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::38a03793666a24d033b47002eedf24f3
https://hdl.handle.net/11250/2982370
https://hdl.handle.net/11250/2982370
Publikováno v:
Applied Physics Letters
A finite electronic band gap is a standard filter in high-throughput screening of materials using density functional theory (DFT). However, because of the systematic underestimation of band gaps in standard DFT approximations, a number of compounds m
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::21e91f57d2f7f1ba1f345591f11f9b24
https://hdl.handle.net/11250/2989915
https://hdl.handle.net/11250/2989915