Zobrazeno 1 - 10
of 152
pro vyhledávání: '"Lamoen, Dirk"'
Autor:
Zhang, Zezhong, Lobato, Ivan, Brown, Hamish, Lamoen, Dirk, Jannis, Daen, Verbeeck, Johan, Van Aert, Sandra, Nellist, Peter D.
The rich information of electron energy-loss spectroscopy (EELS) comes from the complex inelastic scattering process whereby fast electrons transfer energy and momentum to atoms, exciting bound electrons from their ground states to higher unoccupied
Externí odkaz:
http://arxiv.org/abs/2405.10151
The DFT-$\frac{1}{2}$ method is a band gap correction with GW precision at a DFT computational cost. The method was also extended to correct the gap between defect levels, allowing for the calculation of optical transitions. However, this method fail
Externí odkaz:
http://arxiv.org/abs/2309.11435
Autor:
Saniz, Rolando, Baldinozzi, Gianguido, Arts, Ine, Leinders, Gregory, Lamoen, Dirk, Verwerft, Marc
Research efforts on the low temperature magnetic order and electronic properties of U$_3$O$_8$ have been inconclusive so far. Reinterpreting neutron scattering results, we use group representation theory to show that the ground state presents colline
Externí odkaz:
http://arxiv.org/abs/2301.09343
Autor:
Arts, Ine, Saniz, Rolando, Baldinozzi, Gianguido, Leinders, Gregory, Verwerft, Marc, Lamoen, Dirk
Publikováno v:
In Journal of Nuclear Materials October 2024 599
Publikováno v:
Chem. Mater. 2019, 31, 15, 5900 (2019)
Solar-energy plays an important role in solving serious environmental problems and meeting high-energy demand. However, the lack of suitable materials hinders further progress of this technology. Here, we present the largest inorganic solar-cell mate
Externí odkaz:
http://arxiv.org/abs/1903.06651
The Shockley-Queisser limit is one of the most fundamental results in the field of photovoltaics. Based on the principle of detailed balance, it defines an upper limit for a single junction solar cell that uses an absorber material with a specific ba
Externí odkaz:
http://arxiv.org/abs/1705.07762
Publikováno v:
Physical Chemistry Chemical Physics 19, 1945 (2017)
We investigate the role of transition metal atoms of group V-b (V, Nb, and Ta) and VI-b (Cr, Mo, and W) as n- or p-type dopants in anatase TiO2 using thermodynamic principles and density functional theory with the Heyd-Scuseria-Ernzerhof HSE06 hybrid
Externí odkaz:
http://arxiv.org/abs/1702.06039
Publikováno v:
Solid State Communications 243, 36-43 (2016)
Apart from the most studied tin-oxide compounds, SnO and SnO2, intermediate states have been claimed to exist for more than a hundred years. In addition to the known homologous series (Seko et al., Phys. Rev. Lett. 100, 045702 (2008)), we here predic
Externí odkaz:
http://arxiv.org/abs/1606.06187
Chalcopyrite semiconductors are of considerable interest for application as absorber layers in thin-film photovoltaic cells. When growing films of these compounds, however, they are often found to contain CuAu- like domains, a metastable phase of cha
Externí odkaz:
http://arxiv.org/abs/1605.05922
Cu-based chalcogenides are promising materials for thin-film solar cells with more than 20% measured cell efficiency. Using first-principles calculations based on density functional theory, the optoelectronic properties of a group of Cu-based chalcog
Externí odkaz:
http://arxiv.org/abs/1605.05842