Scanning probe study on the piezotronic effect in ZnO nanomaterials and nanodevices

Y Zhang, X Yan, Y Yang, Y Huang, Q Liao… - Advanced …, 2012‏ - Wiley Online Library
ZnO nanomaterials with their unique semiconducting and piezoelectric coupled properties
have become promising materials for applications in piezotronic devices including …

Monolayer PtSe2, a New Semiconducting Transition-Metal-Dichalcogenide, Epitaxially Grown by Direct Selenization of Pt

Y Wang, L Li, W Yao, S Song, JT Sun, J Pan, X Ren… - Nano …, 2015‏ - ACS Publications
Single-layer transition-metal dichalcogenides (TMDs) receive significant attention due to
their intriguing physical properties for both fundamental research and potential applications …

Defective engineering in graphitic carbon nitride nanosheet for efficient photocatalytic pathogenic bacteria disinfection

H Liu, S Ma, L Shao, H Liu, Q Gao, B Li, H Fu… - Applied Catalysis B …, 2020‏ - Elsevier
In this work, porous defective gC 3 N 4 ultrathin nanosheets were prepared through thermal
condensation of freeze-dried precursor. First-principles density functional theory (DFT) …

Linear optical properties in the projector-augmented wave methodology

M Gajdoš, K Hummer, G Kresse, J Furthmüller… - Physical Review B …, 2006‏ - APS
In this work we derive closed expressions for the head of the frequency-dependent
microscopic polarizability matrix in the projector-augmented wave (PAW) methodology …

Band gap and work function tailoring of SnO 2 for improved transparent conducting ability in photovoltaics

AM Ganose, DO Scanlon - Journal of Materials Chemistry C, 2016‏ - pubs.rsc.org
Transparent conducting oxides (TCOs) are an essential component in modern
optoelectronic devices, such as solar panels and touch screens. Their ability to combine …

Nature of the Band Gap of Revealed by First-Principles Calculations <?format ?>and X-Ray Spectroscopy

A Walsh, JLF Da Silva, SH Wei, C Körber, A Klein… - Physical review …, 2008‏ - APS
Bulk and surface sensitive x-ray spectroscopic techniques are applied in tandem to show
that the valence band edge for In 2 O 3 is found significantly closer to the bottom of the …

Tunable Properties of Novel Ga2O3 Monolayer for Electronic and Optoelectronic Applications

Y Liao, Z Zhang, Z Gao, Q Qian… - ACS applied materials & …, 2020‏ - ACS Publications
A novel two-dimensional (2D) Ga2O3 monolayer was constructed and systematically
investigated by first-principles calculations. The 2D Ga2O3 has an asymmetric configuration …

Intrinsic n-type Defect Formation in TiO2: A Comparison of Rutile and Anatase from GGA+U Calculations

BJ Morgan, GW Watson - The Journal of Physical Chemistry C, 2010‏ - ACS Publications
The formations of intrinsic n-type defects, that is, oxygen vacancies and titanium interstitials,
in rutile and anatase TiO2 have been compared using GGA+ U calculations. In both crystal …

Large magneto-optical effects and magnetic anisotropy energy in two-dimensional

Y Fang, S Wu, ZZ Zhu, GY Guo - Physical Review B, 2018‏ - APS
Atomically thin ferromagnetic (FM) films were recently prepared by mechanical exfoliation of
bulk FM semiconductor Cr 2 Ge 2 Te 6. They provide a platform to explore novel two …

First-principles study of ground- and excited-state properties of , , and polymorphs

A Schleife, F Fuchs, J Furthmüller, F Bechstedt - Physical Review B …, 2006‏ - APS
An ab initio pseudopotential method based on density functional theory, generalized
gradient corrections to exchange and correlation, and projector-augmented waves is used to …