Effect of water on the effective Goldschmidt tolerance factor and photoelectric conversion efficiency of organic–inorganic perovskite: insights from first-principles calculations

2017 ◽  
Vol 19 (23) ◽  
pp. 14955-14960 ◽  
Author(s):  
Zhen-Kun Tang ◽  
Ya-Nan Zhu ◽  
Zhi-Feng Xu ◽  
Li-Min Liu
Keyword(s):  
Conversion Efficiency ◽  
First Principles ◽  
Perovskite Structure ◽  
Interstitial Water ◽  
Tolerance Factor ◽  
Photoelectric Conversion Efficiency ◽  
Water Molecules ◽  
First Principles Calculations ◽  
Photoelectric Conversion ◽  
Inorganic Perovskite

Appropriate interstitial water molecules permit higher efficiency in the perovskite structure.

A two-dimensional GeSe/SnSe heterostructure for high performance thin-film solar cells

2019 ◽  
Vol 7 (18) ◽  
pp. 11265-11271 ◽  
Author(s):  
Yuliang Mao ◽  
Congsheng Xu ◽  
Jianmei Yuan ◽  
Hongquan Zhao
Keyword(s):  
First Principles ◽  
High Performance ◽  
Band Alignment ◽  
Thin Film Solar Cells ◽  
Photoelectric Conversion Efficiency ◽  
Type Ii ◽  
First Principles Calculations ◽  
Photoelectric Conversion ◽  
Direct Band Gap ◽  
Direct Band

Based on first-principles calculations, we demonstrated that a GeSe/SnSe heterostructure has a type-II band alignment and a direct band gap. The predicted photoelectric conversion efficiency (PCE) for the GeSe/SnSe heterostructure reaches 21.47%.

High throughput screening of promising lead-free inorganic halide double perovskites via first-principles calculations

2022 ◽  
Author(s):  
Xun-Lei Ding ◽  
Zhengyang Gao ◽  
Gaungyang Mao ◽  
Shengyi Chen ◽  
Yang Bai ◽  
...  
Keyword(s):  
First Principles ◽  
High Throughput Screening ◽  
Production Cost ◽  
Perovskite Solar Cells ◽  
Photoelectric Conversion Efficiency ◽  
Double Perovskites ◽  
First Principles Calculations ◽  
Photoelectric Conversion ◽  
Great Progress ◽  
Poor Stability

Perovskite solar cells (PSCs) have been intensively investigated and made great progress due to their high photoelectric conversion efficiency and low production cost. However, poor stability and the toxicity of...

scholarly journals 1D/2D van der Waals Heterojunctions Composed of Carbon Nanotubes and a GeSe Monolayer

Nanomaterials ◽  
2021 ◽  
Vol 11 (6) ◽  
pp. 1565
Author(s):  
Yuliang Mao ◽  
Zheng Guo ◽  
Jianmei Yuan ◽  
Tao Sun
Keyword(s):  
Carbon Nanotubes ◽  
First Principles ◽  
Van Der Waals ◽  
Band Alignment ◽  
Photoelectric Conversion Efficiency ◽  
Type Ii ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
Photoelectric Conversion ◽  
One Dimensional

Based on first-principles calculations, we propose van der Waals (vdW) heterojunctions composed of one-dimensional carbon nanotubes (CNTs) and two-dimensional GeSe. Our calculations show that (n,0)CNT/GeSe (n = 5–11) heterojunctions are stable through weak vdW interactions. Among these heterojunctions, (n,0)CNT/GeSe (n = 5–7) exhibit metallic properties, while (n,0)CNT/GeSe (n = 8–11) have a small bandgap, lower than 0.8 eV. The absorption coefficient of (n,0)CNT/GeSe (n = 8–11) in the ultraviolet and infrared regions is around 105 cm−1. Specifically, we found that (11,0)CNT/GeSe exhibits type-II band alignment and has a high photoelectric conversion efficiency of 17.29%, which suggests prospective applications in photoelectronics.

Interfacial self-assembly engineering for constructing a 2D flexible superlattice polyoxometalate/rGO heterojunction for high-performance photovoltaic devices

2020 ◽  
Vol 49 (12) ◽  
pp. 3766-3774 ◽  
Author(s):  
Jianping Li ◽  
Dai Wu ◽  
Chunlei Wang ◽  
Ding Liu ◽  
Weilin Chen ◽  
...  
Keyword(s):  
Conversion Efficiency ◽  
Self Assembly ◽  
High Performance ◽  
Photoelectric Conversion Efficiency ◽  
Photovoltaic Devices ◽  
Photoelectric Conversion

The strategy of constructing a 2D flexible superlattice polyoxometalate/rGO heterojunction is proposed to improve the photoelectric conversion efficiency of photovoltaic devices.

scholarly journals Effect of Core-Shell Ag@TiO2Volume Ratio on Characteristics of TiO2-Based DSSCs

2014 ◽  
Vol 2014 ◽  
pp. 1-8 ◽  
Author(s):  
Ho Chang ◽  
Chih-Hao Chen ◽  
Mu-Jung Kao ◽  
Hsin-Han Hsiao
Keyword(s):  
Conversion Efficiency ◽  
Short Circuit ◽  
Dye Sensitized Solar Cells ◽  
Open Circuit ◽  
Photoelectric Conversion Efficiency ◽  
Core Shell ◽  
Photoelectric Conversion ◽  
Shell Type ◽  
Degussa P25 ◽  
Triton X

This paper aims to develop photoanode material required by dye-sensitized solar cells. The material prepared is in the form of Ag@TiO2core-shell-type nanocomposites. This material is used to replace the titanium oxide powder commonly used in general DSSCs. The prepared Ag@TiO2core-shell-type nanocomposites are mixed with Degussa P25 TiO2in different proportions. Triton X-100 is added and polyethylene glycol (PEG) at 20 wt% is used as a polymer additive. This study tests the particle size and material properties of Ag@TiO2core-shell-type nanocomposites and measures the photoelectric conversion efficiency and IPCE of DSSCs. Experimental results show that the DSSC prepared by Ag@TiO2core-shell-type nanocomposites can achieve a photoelectric conversion efficiency of 3.67%. When Ag@TiO2core-shell-type nanocomposites are mixed with P25 nanoparticles in specific proportions, and when the thickness of the photoelectrode thin film is 28 μm, the photoelectric conversion efficiency can reach 6.06%, with a fill factor of 0.52, open-circuit voltage of 0.64V, and short-circuit density of 18.22 mAcm−2. Compared to the DSSC prepared by P25 TiO2only, the photoelectric conversion efficiency can be raised by 38% under the proposed approach.

First Principles Investigation of Multiferroism in Perovskite Manganites

1999 ◽  
Vol 574 ◽  
Author(s):  
Nicola A. Hill ◽  
Karin M. Rabe
Keyword(s):  
First Principles ◽  
Perovskite Structure ◽  
Simultaneous Occurrence ◽  
Perovskite Manganites ◽  
First Principles Calculations

AbstractWe present results of first principles calculations which indicate the simultaneous occurrence of ferromagnetism and ferroelectricity in perovskite structure bismuth manganite, BiMnO3.

Research on the Photoelectric Conversion Efficiency of Grating Anti-Reflective Layer Solar Cells

2011 ◽  
Vol 216 ◽  
pp. 355-359 ◽  
Author(s):  
Hui Zhong ◽  
Yong Yi Gao ◽  
Ren Long Zhou ◽  
Bing Ju Zhou ◽  
Li Qiang Tang ◽  
...  
Keyword(s):  
Solar Cells ◽  
Energy Storage ◽  
Conversion Efficiency ◽  
Photoelectric Conversion Efficiency ◽  
Photoelectric Conversion ◽  
Grating Structure ◽  
Reflective Layer ◽  
Surface Grating ◽  
Coated Metal ◽  
Difference Time

The effect of grating structure on the photoelectric conversion efficiency of solar cells is studied with the finite-difference time-domain method. The influence of grating shape, height and the thickness of coated metal film is analysed. It is found that the variation of grating shape and height makes great changes of energy storage, especially of the photoelectric conversion efficiency and energy storage of the triangle grating. The comparison between un-optimized and optimized surface grating structure on solar cells shows that the optimized grating surface significantly increases the energy storage capability and greatly improves the efficiency.

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