This Review highlights basic and transition metal conducting and semiconducting oxides.
We discuss their material and electronic properties with an emphasis on the crystal …

An ab initio pseudopotential method based on density functional theory, generalized
gradient corrections to exchange and correlation, and projector-augmented waves is used to …

The p–n junction was invented in the first half of the twentieth century and the latter half saw
the birth of light emitting diodes: red and yellow/green in the 1960s and yellow in the 1970s …

Common II-VI compound semiconducting materials are stable thermodynamically with
zincblende phase, while the II-O materials such as zinc oxide (ZnO) and beryllium oxide …

The proper description of step structures in the exchange correlation potential, of charge
localization, and a reasonable prediction of band gaps have been long-standing, serious …

Herein, we describe the solid-state fusion of rod-shaped to honeycomb-shaped cadmium
oxide particles (CdO NPs) caused by the process of repeated exposure to acoustic shock …

Structural, elastic, and electronic properties of the group-III nitride and the group-II oxide
semiconductors are introduced here with basic material parameters. These materials …

This study reports a facile approach for examining surface morphology transitions in
semiconductor nanoparticles (NPs), with a focus on pristine and magnesium-doped …

The surface frustrated Lewis pairs (SFLPs) open up new opportunities for substituting noble
metals in the activation and conversion of stable molecules. However, the applications of …

The ground-and metastable-state properties of II-VI oxides in wurtzite (h-MgO), zincblende
and rocksalt structures are systematically investigated using first-principles. We study the …