Understanding the water splitting mechanism in photocatalysis is a rewarding goal as it will
allow producing clean fuel for a sustainable life in the future. However, identifying the …

We review the current techniques used in the prediction of crystal structures and their
surfaces and of the structures of nanoparticles. The main classes of search algorithm and …

We probe and rationalize the complex surface chemistry of wurtzite ZnO by employing
interatomic potential calculations coupled with a Monte Carlo procedure that sampled over …

The source of n-type conductivity in undoped transparent conducting oxides has been a
topic of debate for several decades. The point defect of most interest in this respect is the …

The nonlinear optical properties of antimony telluride (SbTe) crystal with indirect narrow
bandgap are investigated, which exhibits superior performance for nonlinear laser …

The morphology at the catalytically active interfacial site of ZnO/Cu in the commercial
ZnO/Cu/Al2O3 catalyst for CO2 hydrogenation to methanol is still an open question. In the …

ZnO is a transparent semiconductor with optoelectronic, thermoelectric, and sensor
applications, where using amorphous thin films presents great advantages. However …

In this contribution, we present an experimental and theoretical investigation of the role of
counter-ions in the crystal morphology, surface structure, and photocatalytic activity of …

Recent advances in ultrafast liquid quenching and deposition of thin films on cold substrates
make growing amorphous (a)‐ZnO films increasingly feasible. The electronic structure and …

ZnO is a prime candidate for future use in transparent electronics; however, development of
practical materials requires attention to factors including control of its unusual surface band …