Rational Design of Chelated Aluminum Complexes toward Highly Efficient and Thermally Stable Electron-Transporting Materials

2014 ◽  
Vol 26 (12) ◽  
pp. 3693-3700 ◽  
Author(s):  
Na Lin ◽  
Juan Qiao ◽  
Lian Duan ◽  
Jie Xue ◽  
Liduo Wang
ACS Nano ◽  
2020 ◽  
Vol 14 (3) ◽  
pp. 3272-3280 ◽  
Author(s):  
Jizhuang Wang ◽  
Ze Xiong ◽  
Ming Liu ◽  
Xiao-meng Li ◽  
Jing Zheng ◽  
...  

Author(s):  
Shuo Wang ◽  
Xu Zhang ◽  
Xue Chang ◽  
Meng-Ya Zong ◽  
Cun-Zheng Fan ◽  
...  

2021 ◽  
Author(s):  
Dan Wu ◽  
Hao Wu ◽  
Yu Xiao ◽  
Xiaoling Dong ◽  
Yue Wang ◽  
...  

2020 ◽  
Vol 6 (11) ◽  
pp. eaaz0510 ◽  
Author(s):  
Yonggang Yao ◽  
Zhenyu Liu ◽  
Pengfei Xie ◽  
Zhennan Huang ◽  
Tangyuan Li ◽  
...  

Multi-elemental alloy nanoparticles (MEA-NPs) hold great promise for catalyst discovery in a virtually unlimited compositional space. However, rational and controllable synthesize of these intrinsically complex structures remains a challenge. Here, we report the computationally aided, entropy-driven design and synthesis of highly efficient and durable catalyst MEA-NPs. The computational strategy includes prescreening of millions of compositions, prediction of alloy formation by density functional theory calculations, and examination of structural stability by a hybrid Monte Carlo and molecular dynamics method. Selected compositions can be efficiently and rapidly synthesized at high temperature (e.g., 1500 K, 0.5 s) with excellent thermal stability. We applied these MEA-NPs for catalytic NH3 decomposition and observed outstanding performance due to the synergistic effect of multi-elemental mixing, their small size, and the alloy phase. We anticipate that the computationally aided rational design and rapid synthesis of MEA-NPs are broadly applicable for various catalytic reactions and will accelerate material discovery.


2020 ◽  
Vol 8 (4) ◽  
pp. 1799-1807 ◽  
Author(s):  
Nan Zang ◽  
Zexing Wu ◽  
Jie Wang ◽  
Wei Jin

CuCo2S4 ternary sheet arrays are successfully synthesized on the micro-fibre of carbon felt, which exhibits excellent OER, HER and overall water splitting performance benefiting from the unique structure.


2020 ◽  
Vol 8 (48) ◽  
pp. 17194-17201
Author(s):  
Huafei Guo ◽  
Xuguang Jia ◽  
Shreyash H. Hadke ◽  
Jiayi Zhang ◽  
Wei Wang ◽  
...  

A hexagonal CdS film is used to increase the quality and improve the spectral response of Sb2Se3 solar cells deposited by the RTE method. A 7.35% efficiency of Sb2Se3 solar cells has been obtained based on the hexagonal CdS film.


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