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Scanning probe study on the piezotronic effect in ZnO nanomaterials and nanodevices
ZnO nanomaterials with their unique semiconducting and piezoelectric coupled properties
have become promising materials for applications in piezotronic devices including …
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
Single-layer transition-metal dichalcogenides (TMDs) receive significant attention due to
their intriguing physical properties for both fundamental research and potential applications …
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) …
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 …
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 …
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 …
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
A novel two-dimensional (2D) Ga2O3 monolayer was constructed and systematically
investigated by first-principles calculations. The 2D Ga2O3 has an asymmetric configuration …
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
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 …
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
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 …
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 …
gradient corrections to exchange and correlation, and projector-augmented waves is used to …