Browsing Materials Research Centre (MRC) by Subject "Electronic structure theory"
Now showing items 1-2 of 2
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Engineering Chemical Environments for Efficient Thermoelectric and Heat Transport Materials using First-principles Calculation
To optimize the management of heat generated in various industrial processes, it is imperative to utilize materials that can proficiently transport heat energy and convert it into valuable electrical power. Conversion of ... -
Mechanistic Insights into the Chemical and Electronic Doping for Advanced Optoelectronic, Catalytic, and Quantum Applications
Doping via the incorporation of ionizable entities within solid-state materials represents a promising strategy for the generation of mobile or localized charge carriers. Conventionally, doping has been perceived as an ...