Modulation of band alignment with water redox potentials by biaxial strain on orthorhombic NaTaO3 thin films

2020 ◽  
Vol 22 (41) ◽  
pp. 23810-23815
Author(s):  
Alexandre Olivieri Kraus ◽  
Guilherme Ribeiro Portugal ◽  
Jeverson Teodoro Arantes
Keyword(s):  
Thin Films ◽  
Water Splitting ◽  
Band Alignment ◽  
Semiconductor Materials ◽  
Redox Potentials ◽  
Biaxial Strain

Photocatalysis-assisted water splitting using semiconductor materials greatly depends on the bandgap size and the alignment of band edges relative to the reaction potentials.

scholarly journals Two-Dimensional As/BlueP van der Waals Hetero-Structure as a Promising Photocatalyst for Water Splitting: A DFT Study

Coatings ◽  
2020 ◽  
Vol 10 (12) ◽  
pp. 1160
Author(s):  
Xinyi Liu ◽  
Bei Jiang ◽  
Yanxin Liu ◽  
Lei Liu ◽  
Tian Xia ◽  
...  
Keyword(s):  
Water Splitting ◽  
Potential Application ◽  
Ph Value ◽  
Van Der Waals ◽  
Valence Band Maximum ◽  
Band Alignment ◽  
First Principles Calculation ◽  
Two Dimensional ◽  
Redox Potentials ◽  
Hetero Structure

Constructing van der Waals (vdW) hetero-structure by stacking different two-dimensional (2D) materials has become an effective method for designing new-type and high-quality electronic and optoelectronic nano-devices. In this work, we designed a 2D As/BlueP vdW hetero-structure by stacking monolayer arsenene (As) and monolayer blue phosphorous (BlueP) vertically, which were recently implemented in experiments, and investigated its structural, electronic, and photocatalytic water splitting properties by using the standard first principles calculation method with HSE06 hybrid exchange-correlation functional. Numerical results show that the As/BlueP vdW hetero-structure is structural robust, even at room temperature. It presents semi-conducting behavior, and the conduction band minimum (CBM) and the valence band maximum (VBM) are dominated by BlueP and As, respectively. The typical type-II band alignment predicts the potential application of the hetero-structure in highly efficient optoelectronics and solar energy conversion. Moreover, the CBM and the VBM straddle the redox potentials of water in acid environment, predicting the possibility of the As/BlueP hetero-structure as a 2D photocatalyst for water splitting. When an in-plane strain is applied, the band edges and, further, the optoelectronic properties of the hetero-structure can be effectively tuned. Especially, when tensile strain is equal to 4.5%, the optical absorption spectrum is effectively broadened in a visible light region, which will largely improve its photocatalytic efficiency, although the pH value of the solution range reduction. This work provides theoretical evidence that the As/BlueP hetero-structure has potential application as a 2D photocatalyst in water splitting.

scholarly journals Strain-tunable band alignment and band gap of GaSe/WTe2 heterojunction for water splitting and light-emitting

2021 ◽  
pp. 104605
Author(s):  
Qingyi Feng ◽  
Hongxiang Deng ◽  
Hongdong Yang ◽  
Shasha Ke ◽  
Haifeng Lv ◽  
...  
Keyword(s):  
Band Gap ◽  
Water Splitting ◽  
Band Alignment ◽  
Light Emitting

(003)-Facet-exposed Ni3S2 nanoporous thin films on nickel foil for efficient water splitting

2019 ◽  
Vol 243 ◽  
pp. 693-702 ◽  
Author(s):  
Jing Dong ◽  
Fu-Qiang Zhang ◽  
Yang Yang ◽  
Yue-Biao Zhang ◽  
Hailong He ◽  
...  
Keyword(s):  
Thin Films ◽  
Water Splitting ◽  
Nickel Foil

Inverse opal structured α-Fe2O3 on graphene thin films: enhanced photo-assisted water splitting

Nanoscale ◽  
2013 ◽  
Vol 5 (5) ◽  
pp. 1939 ◽  
Author(s):  
Kan Zhang ◽  
XinJian Shi ◽  
Jung Kyu Kim ◽  
Jae Sung Lee ◽  
Jong Hyeok Park
Keyword(s):  
Thin Films ◽  
Water Splitting ◽  
Inverse Opal

scholarly journals Physical and Chemical Defects in WO3 Thin Films and Their Impact on Photoelectrochemical Water Splitting

2018 ◽  
Vol 1 (11) ◽  
pp. 5887-5895 ◽  
Author(s):  
Y. Zhao ◽  
S. Balasubramanyam ◽  
R. Sinha ◽  
R. Lavrijsen ◽  
M. A. Verheijen ◽  
...  
Keyword(s):  
Thin Films ◽  
Water Splitting ◽  
Photoelectrochemical Water Splitting ◽  
Physical And Chemical ◽  
Wo3 Thin Films

Mo-doped BiVO4 thin films – high photoelectrochemical water splitting performance achieved by a tailored structure and morphology

2017 ◽  
Vol 1 (8) ◽  
pp. 1830-1846 ◽  
Author(s):  
Martin Rohloff ◽  
Björn Anke ◽  
Siyuan Zhang ◽  
Ulrich Gernert ◽  
Christina Scheu ◽  
...  
Keyword(s):  
Thin Films ◽  
Water Splitting ◽  
Sol Gel ◽  
Surface Recombination ◽  
Photoelectrochemical Water Splitting ◽  
Transfer Efficiency ◽  
Hole Transfer ◽  
Structure And Morphology ◽  
Sol Gel Synthesis ◽  
Reduced Surface

Facile sol–gel synthesis of Mo:BiVO4 thin films with optimized morphology results in reduced surface recombination and enhanced hole transfer efficiency.

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