Toward defect engineering strategies to optimize energy and electronic materials

EN Sgourou, Y Panayiotatos, RV Vovk, A Chroneos - Applied Sciences, 2017 - mdpi.com
The technological requirement to optimize materials for energy and electronic materials has
led to the use of defect engineering strategies. These strategies take advantage of the …

Robust room temperature ferromagnetism and band gap tuning in nonmagnetic Mg doped ZnO films

Z Quan, X Liu, Y Qi, Z Song, S Qi, G Zhou, X Xu - Applied Surface Science, 2017 - Elsevier
Mg doped ZnO films with hexagonal wurtzite structure were deposited on c-cut sapphire Al 2
O 3 substrates by pulsed laser deposition. Both room temperature ferromagnetism and band …

Realization of quantum anomalous Hall effect in graphene from codoping-induced stable atomic adsorption

X Deng, S Qi, Y Han, K Zhang, X Xu, Z Qiao - Physical Review B, 2017 - APS
Using first-principles calculation methods, we study the possibility of realizing a quantum
anomalous Hall effect in graphene from stable 3 d atomic adsorption via a charge …

Electronic properties of Cr-N codoped rutile TiO2 (110) thin films

Z Cheng, L Zhang, S Dong, X Ma, H Ju, J Zhu, X Cui… - Surface Science, 2017 - Elsevier
We report our investigation on the electronic properties of Cr-N codoped rutile TiO 2 (110)
single crystal thin films, homoepitaxially grown by pulsed-laser-deposition method, and …

The electronic structure and optical properties of donor-acceptor codoped TiO2 nanosheets from hybrid functional calculations

Y Liu, W Zhou, P Wu - Materials Chemistry and Physics, 2017 - Elsevier
Here we explore the effect of charge-compensated donor-acceptor pairs (2Nb+ C),(2Ta+
C),(Mo+ 2N) and (W+ 2N) codoping on the electronic and optical properties of TiO 2 …

A first-principles study of impurity effects on monolayer MoS2: bandgap dominated by donor impurities

H Zhang, W Zhou, Z Yang, S Wu… - Materials Research …, 2017 - iopscience.iop.org
Based on the first principles calculation, the electrical properties and optical properties of
monolayer molybdenum disulfide (MoS 2) substitutionally doped by the VB and VIIB …

Boron-/Fe-codoped graphene as high-activity single-atom catalyst

X Wang, H Zhou, Z Yan, X Zhang, J Jia… - Theoretical Chemistry …, 2017 - Springer
The well-dispersed single-metal atom with high activity on the support is the important
prerequisite to the application of the single-atom catalysts (SACs). In this study, we find that …

Enhancing visible light photocatalytic activity of KNbO by N–F passivated co-doping for hydrogen generation by water splitting

G Wang, H Yuan, Y Li, A Kuang, H Chen - Journal of Materials Science, 2017 - Springer
The charge-compensated N–F co-doping in combination with N or F mono-doping has been
adopted to reduce the band-gap of KNbO _ 3 3 so as to improve its photocatalytic efficiency …

Creating Carbon-Oxygen Bonds over TiO2 Nanofibers for Synergistic Benefits of Visible-Light Response and Charge Separation toward Photocatalysis.

X Xu, Y Wang, R Wang, J Pan, J Hu… - Advanced Materials …, 2017 - search.ebscohost.com
The controllable carbonization over TiO2 nanofibers developed to create carbon–oxygen
bonding interface, which cannot only inject visible‐light sensitivity but also hasten electrons …

One-pot photoassisted synthesis, in situ photocatalytic testing for hydrogen generation and the mechanism of binary nitrogen and copper promoted titanium dioxide

S Taylor, M Mehta, D Barbash… - … & Photobiological Sciences, 2017 - Springer
For the sustainable production of hydrogen by photocatalysis, the use of renewable
resources such as water, organic compounds from plant biomass and earth abundant metal …