Browsing Publikační činnost ČVUT by Subject "AB-INITIO CALCULATION"
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DFT calculations reveal pronounced HOMO-LUMO spatial separation in polypyrrole-nanodiamond systems
(Royal Society of Chemistry, 2019)The low-cost efficient generation of renewable energy and its blending with societal lifestyle is becoming increasingly pervasive. Diamond-based inorganic-organic hybrid systems may have an immense, yet still mostly ...