...Halide perovskite photonics plasmon density functional theory time-dependent density functional theory Plasmonic Effects in Perovskite-Based Photonics Plasmonic effects are used for photon and charge carrier management in different types of solar cells and optoelectronic devices. They were...

.... It is also a resource for the increasing number of available courses on materials modeling. electrochemistry electrochemical reactions computational methods density functional theory Preface Electrochemistry targets the control of the conversion between electrical energy and chemical energy...

... methods density functional theory Introduction In spite of its importance, modern industry is associated with severe energy shortages and environmental pollution. In response to these global crises, numerous scientists are devoted to the study of green chemistry. Electrochemistry is one of the most...

...-principles calculations density functional theory electrochemical reactions oxygen evolution reaction oxygen reduction reaction fuel cells lithium batteries Introduction In recent decades, technological evolution has substantially enriched the research methods in the field of electrochemistry...

...Wang, Y. (2021), “Numerical simulation of electrified solid–liquid interfaces,” in Wang, Y. (ed.), Multiscale Modeling of Electrochemical Reactions and Processes, Melville, New York: AIP Publishing, pp. 3-1–3-18. force field density functional theory molecular dynamics Introduction...

... methods density functional theory Introduction Organic semiconductors composed of π-conjugated molecules or polymers are widely used in numerous applications, including organic light-emitting diodes (OLEDs), organic field-effect transistors (OFETs), and organic solar cells (OSCs). In general, organic...

.... It is also a resource for the increasing number of available courses on materials modeling. electrochemistry electrochemical reactions computational methods density functional theory ...