This work explores the Zn vacancy in ZnO using hybrid density functional theory
calculations. The Zn vacancy is predicted to be an exceedingly deep polaronic acceptor that …

A combined experimental and first-principles study is performed to study the origin of
conductivity in ZnO: Al nanoparticles synthesized under controlled conditions via a reflux …

Diffusion of the n-type dopant Sn in β-Ga2O3 is studied using secondary-ion mass
spectrometry combined with hybrid functional calculations. The diffusion of Sn from a Sn …

Results from hybrid density functional theory calculations on the thermodynamic stability and
optical properties of the Zn vacancy (V Zn) complexed with common donor impurities in ZnO …

The maximum conductivity achievable in Al-doped ZnO thin films prepared by atomic layer
deposition (ALD) is limited by the low doping efficiency of Al. To better understand the …

We demonstrate spatial modification of the optical properties of thin-film metal oxides, zinc
oxide (ZnO) and vanadium dioxide (VO2) as representatives, using a commercial focused …

The simultaneous cationic and anionic co-doping of ZnO nanowires grown by chemical bath
deposition offers great promise to optimize the performance of engineering devices, but its …

The simultaneous co-doping of ZnO nanowires grown by chemical bath deposition is of high
interest for a large number of engineering devices, but the process conditions required and …

Studying the possibility of a p-type conduction mechanism in the Ag-doped ZnO can clarify
persisting ambiguities in the related materials and devices. Here, utilizing the first principles …

N+ H co-doping in monoclinic WO 3 has been systematically investigated using the Heyd-
Scuseria-Enrzerhof hybrid functional. Results show that N and H tend to stay nearest to each …