Calculation on surface energy and electronic properties of CoS2
Sign Up to like & getrecommendations! Published in 2020 at "Royal Society Open Science"
DOI: 10.1098/rsos.191653
Abstract: Density functional theory was employed to investigate the (111), (200), (210), (211) and (220) surfaces of CoS2. The surface energies were calculated with a sulfur environment using first-principle-based thermodynamics. It is founded that surfaces with… read more here.
Keywords: energy electronic; calculation surface; energy; surface ... See more keywords
Nature of native atomic defects in ZrTe5 and their impact on the low-energy electronic structure
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DOI: 10.1103/physrevmaterials.4.114201
Abstract: Over the past decades, investigations of the anomalous low-energy electronic properties of ZrTe$_5$ have reached a wide array of conclusions. An open question is the growth method's impact on the stoichiometry of ZrTe$_5$ samples, especially… read more here.
Keywords: energy electronic; atomic defects; impact; nature native ... See more keywords
Toward Defect Engineering Strategies to Optimize Energy and Electronic Materials
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DOI: 10.3390/app7070674
Abstract: The technological requirement to optimize materials for energy and electronic materials has led to the use of defect engineering strategies. These strategies take advantage of the impact of composition, disorder, structure, and mechanical strain on… read more here.
Keywords: defect engineering; energy electronic; electronic materials; engineering strategies ... See more keywords