Blue phosphorene/Sc2CX2 (X = O, F) van der Waals heterostructures as suitable candidates for water-splitting photocatalysts and solar cells

2020 ◽  
Vol 4 (10) ◽  
pp. 5277-5283
Author(s):  
Xiao-Hua Li ◽  
Bao-Ji Wang ◽  
Guo-Dong Wang ◽  
San-Huang Ke

Using DFT calculations, BlueP/Sc2CX2 (X = O, F) heterostructures are found to have great potential in the field of solar energy applications.

2020 ◽  
Vol 22 (41) ◽  
pp. 23735-23742
Author(s):  
Zhijie Wang ◽  
Zhibo Luo ◽  
Jia Li ◽  
Kang Yang ◽  
Gang Zhou

A principle diagram of BC3/C3N and BC3/BC6N heterostructures immobilized by π–π stacking as direct Z-scheme photocatalysts for water splitting.


2020 ◽  
Vol 10 (1) ◽  
Author(s):  
Xinyi Zheng ◽  
Yadong Wei ◽  
Kaijuan Pang ◽  
Ngeywo Kaner Tolbert ◽  
Dalin Kong ◽  
...  

Abstract By first-principles calculations, we investigate the geometric stability, electronic and optical properties of the type-II PN-WSe2 and type-I PAs-WSe2 van der Waals heterostructures(vdWH). They are p-type semiconductors with indirect band gaps of 1.09 eV and 1.08 eV based on PBE functional respectively. By applying the external gate field, the PAs-WSe2 heterostructure would transform to the type-II band alignment from the type-I. With the increasing of magnitude of the electric field, two heterostructures turn into the n-type semiconductors and eventually into metal. Especially, PN/PAs-WSe2 vdWH are both high refractive index materials at low frequencies and show negative refractive index at high frequencies. Because of the steady absorption in ultraviolet region, the PAs-WSe2 heterostructure is a highly sensitive UV detector material with wide spectrum. The type-II PN-WSe2 heterostructure possesses giant and broadband absorption in the near-infrared and visible regions, and its solar power conversion efficiency of 13.8% is higher than the reported GaTe–InSe (9.1%), MoS2/p-Si (5.23%) and organic solar cells (11.7%). It does project PN-WSe2 heterostructure a potential for application in excitons-based solar cells.


2020 ◽  
Vol 44 (37) ◽  
pp. 16092-16100
Author(s):  
Xiao-Hua Li ◽  
Bao-Ji Wang ◽  
Hui Li ◽  
Xue-Feng Yang ◽  
Rui-Qi Zhao ◽  
...  

Through DFT calculations, Janus-In2SeTe/C2N heterostructures are found to have great potential applications in the fields of clean and sustainable energy.


2020 ◽  
Vol 117 (6) ◽  
pp. 063901 ◽  
Author(s):  
Yu-Liang Liu ◽  
Ying Shi ◽  
Hang Yin ◽  
Chuan-Lu Yang

Author(s):  
Sheng Huang ◽  
Zhigang Shuai ◽  
Dong Wang

Integration of ferroelectricity into van der Waals heterostructures offers additional opportunities to control over the properties and functionalities of heterostructures by switching the direction of the polarization via an external...


2020 ◽  
Vol 123 ◽  
pp. 114207 ◽  
Author(s):  
Zhen Cui ◽  
Kaifei Bai ◽  
Yingchun Ding ◽  
Xia Wang ◽  
Enling Li ◽  
...  

2018 ◽  
Vol 6 (39) ◽  
pp. 18948-18959 ◽  
Author(s):  
Ashwani Kumar ◽  
Dhirendra K. Chaudhary ◽  
Sahanaz Parvin ◽  
Sayan Bhattacharyya

NiFe nanoparticle electrocatalysts, supported on duckweed-derived carbon, splits water at 1.61 V and provides a 9.7% solar-to-hydrogen efficiency when connected to solar cells.


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