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DFT results for 216-atom cell containing In impurity
Acceptor impurities in semiconductors bind a hole from the valence band at low temperatures; at higher temperatures, the hole becomes mobile and contributes to the the... -
DFT results for 216-atom cell containing Ga impurity
Acceptor impurities in semiconductors bind a hole from the valence band at low temperatures; at higher temperatures, the hole becomes mobile and contributes to the the... -
DFT results for 512-atom cell containing Al impurity
Acceptor impurities in semiconductors bind a hole from the valence band at low temperatures; at higher temperatures, the hole becomes mobile and contributes to the the... -
DFT results for 216-atom cell containing Al impurity
Acceptor impurities in semiconductors bind a hole from the valence band at low temperatures; at higher temperatures, the hole becomes mobile and contributes to the the... -
Lithium-ion Battery INR18650 MJ1 3D X-ray CT Data: Graphite-Silicon Anode (EI...
3D data on an 18650 Li-ion Battery Graphite-Silicon Anode Collected using an 810 Ultra X-ray-CT instrument (Zeiss Xradia 810 Ultra, Carl Zeiss., CA, USA).Accelerating tube... -
DFT results for silicon primitive cell (for comparison)
Acceptor impurities in semiconductors bind a hole from the valence band at low temperatures; at higher temperatures, the hole becomes mobile and contributes to the the... -
DFT results for 216-atom perfect silicon cell (for comparison)
Acceptor impurities in semiconductors bind a hole from the valence band at low temperatures; at higher temperatures, the hole becomes mobile and contributes to the the... -
Biogeochemical variables from a Multidisciplinary BASS Mesocosm Study at Wilh...
This dataset contains biogeochemical variables measured during the same mesocosm experiment at Sea Surface Facility (SURF) in Wilhelmshaven, Germany (53.5148° N, 8.1461° E) in... -
Dissolved nutrients data from the PS122 MOSAiC Expedition carried out at the ...
Samples for the analysis of dissolved nutrients were collected during the Multidisciplinary drifting Observatory for the Study of Arctic Climate (MOSAiC) from the water column,... -
Dissolved nutrients data from the PS122 MOSAiC Expedition carried out onboard...
Samples for the analysis of dissolved nutrients were collected during the Multidisciplinary drifting Observatory for the Study of Arctic Climate (MOSAiC) from the water column,... -
First-principles calculations of phonon-limited mobility for electrons and ho...
Strain engineering is a widely used technique for enhancing the mobility of charge carriers in semiconductors, but its effect has not yet been fully investigated theoretically.... -
Phonon-limited mobility for electrons and holes in highly-strained silicon
Strain engineering is a widely used technique for enhancing the mobility of charge carriers in semiconductors, but its effect is not fully understood. In this work, we perform... -
Phonon-limited mobility for electrons and holes in highly-strained silicon
Strain engineering is a widely used technique for enhancing the mobility of charge carriers in semiconductors, but its effect is not fully understood. In this work, we perform... -
Phonon-limited mobility for electrons and holes in highly-strained silicon
Strain engineering is a widely used technique for enhancing the mobility of charge carriers in semiconductors, but its effect is not fully understood. In this work, we perform... -
Improving the silicon interactions of GFN-xTB
This record addresses inaccuracies in the widely-used GFN-xTB model when it comes to the description of organosilicon compounds. Here, an ab initio reference data set of 10000... -
Neural networks-based variationally enhanced sampling
Sampling complex free-energy surfaces is one of the main challenges of modern atomistic simulation methods. The presence of kinetic bottlenecks in such surfaces often renders a... -
Données de réplication pour : Agriculture increases the bioavailability of si...
These data concern the study 'Agriculture increases the bioavailability of Silicon, a beneficial element for crop, in temperate soils' published in nature communication. This... -
(Table 6) Mass accumulation rates for Jurassic to early Cretaceous sediments ...
This dataset has no description
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Unusual polymorphism in sodalites
We have recently observed extraordinary polymorphism on cooling various sodalites under vacuum. Materials undergo a phase transition followed by a fully reversible... -
A variable temperature study of polymorphism in Li2+2xM1-xSiO4 electrode mate...
There is great interest in scaling up Li-ion batteries for use in electric vehicles, requiring cheap andsafe cathodes. Recently, silicate-based cathodes have been described,...
