Fe2O3/Cu2O heterostructured nanocrystals

We report the synthesis of colloidal γ-Fe2O3/Cu2O hetero-nanocrystals (HNCs) using a solution-phase seeded-growth approach. The structural and electronic properties of these materials are investigated by HRTEM and photoelectron spectroscopy. A type II band alignment was found between the p-Cu2O and n-Fe2O3 domains making the particles potentially attractive candidates for applications in solar energy conversion.

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Study of structural and electronic properties of (ZnSeZB)m/(ZnSeWZ)n superlattices based on HSE hybrid functional

Modern Physics Letters B ◽

10.1142/s0217984919502695 ◽

2019 ◽

Vol 33 (23) ◽

pp. 1950269

Author(s):

Jia-Hong Lin ◽

Xiong-Tao Yang ◽

Bing-Suo Zou ◽

Li-Jie Shi

Keyword(s):

Solar Energy ◽

Electronic Properties ◽

First Principles ◽

Band Alignment ◽

Good Prediction ◽

Type Ii ◽

Carrier Localization ◽

Hybrid Functional ◽

Zinc Blende ◽

Structural And Electronic Properties

Using first-principles method, we studied systematically the structural and electronic properties of ZB/WZ superlattices of ZnSe. The band offsets are calculated by Heyd–Scuseria–Ernzerhof (HSE) hybrid functional which can give a good prediction on the relative band positions. The band alignment at ZB/WZ interface is found to be type-II with holes localized in wurtzite region and electrons in zinc-blende region, which is suitable for optoelectronic and solar energy conversion. The origin of type-II character and the carrier localization are investigated in detail.

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The electric field modulation of electronic properties in a type-II phosphorene/PbI2 van der Waals heterojunction

Physical Chemistry Chemical Physics ◽

10.1039/c9cp00733d ◽

2019 ◽

Vol 21 (15) ◽

pp. 7765-7772 ◽

Cited By ~ 8

Author(s):

Yuting Wei ◽

Fei Wang ◽

Wenli Zhang ◽

Xiuwen Zhang

Keyword(s):

Solar Energy ◽

Electric Field ◽

Electronic Properties ◽

External Electric Field ◽

Van Der Waals ◽

Optoelectronic Devices ◽

Band Alignment ◽

Type Ii ◽

Direct Bandgap ◽

Field Modulation

The 0.52/0.83 eV direct bandgap of P/PbI2 possesses a type-II band alignment, can effectively be regulated to 0.90/1.54 eV using an external electric field in DFT/HSE06, and is useful for solar energy and optoelectronic devices.

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Tunable Electronic Properties of Type-II SiS2/WSe2 Hetero-Bilayers

Nanomaterials ◽

10.3390/nano10102037 ◽

2020 ◽

Vol 10 (10) ◽

pp. 2037

Author(s):

Yue Guan ◽

Xiaodan Li ◽

Ruixia Niu ◽

Ningxia Zhang ◽

Taotao Hu ◽

...

Keyword(s):

Band Gap ◽

Electronic Properties ◽

Density Functional ◽

Photogenerated Electron ◽

Strain Range ◽

Band Alignment ◽

Type Ii ◽

Electron Hole ◽

Structural And Electronic Properties ◽

Indirect Band Gap

First-principle calculations based on the density functional theory (DFT) are implemented to study the structural and electronic properties of the SiS2/WSe2 hetero-bilayers. It is found that the AB-2 stacking model is most stable among all the six SiS2/WSe2 heterostructures considered in this work. The AB-2 stacking SiS2/WSe2 hetero-bilayer possesses a type-II band alignment with a narrow indirect band gap (0.154 eV and 0.738 eV obtained by GGA-PBE and HSE06, respectively), which can effectively separate the photogenerated electron–hole pairs and prevent the recombination of the electron–hole pairs. Our results revealed that the band gap can be tuned effectively within the range of elastic deformation (biaxial strain range from −7% to 7%) while maintaining the type-II band alignment. Furthermore, due to the effective regulation of interlayer charge transfer, the band gap along with the band offset of the SiS2/WSe2 heterostructure can also be modulated effectively by applying a vertical external electric field. Our results offer interesting alternatives for the engineering of two-dimensional material-based optoelectronic nanodevices.

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Design of BODIPY dyes as triplet photosensitizers: electronic properties tailored for solar energy conversion, photoredox catalysis and photodynamic therapy

Chemical Science ◽

10.1039/d1sc00732g ◽

2021 ◽

Author(s):

Elena Bassan ◽

Andrea Gualandi ◽

Pier Giorgio Cozzi ◽

Paola Ceroni

Keyword(s):

Heavy Metal ◽

Photodynamic Therapy ◽

Solar Energy ◽

Metal Complexes ◽

Energy Conversion ◽

Electronic Properties ◽

Solar Energy Conversion ◽

Photoredox Catalysis

BODIPYs offer a versatile platform to build organic triplet photosensitisers for PDT, TTA upconversion and photocatalysis. Tuning their properties provides the opportunity of replacing heavy-metal complexes and can lead to improved sustainability.

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