Discovery of Lead-Free Hybrid Organic/Inorganic Perovskites Using Metaheuristic-Driven DFT Calculations

2021 ◽  
Vol 33 (2) ◽  
pp. 782-798
Author(s):  
Byung Do Lee ◽  
Woon Bae Park ◽  
Jin-Woong Lee ◽  
Minseuk Kim ◽  
Myoungho Pyo ◽  
...  
Keyword(s):  
RSC Advances ◽  
2020 ◽  
Vol 10 (40) ◽  
pp. 23743-23748
Author(s):  
Clark Zhang ◽  
Xuan Luo

DFT calculations revealed MAZnCl3 as a suitable replacement of MAPbI3, and revealed new low band-gap transition metal perovskites


2018 ◽  
Vol 20 (6) ◽  
pp. 4277-4286 ◽  
Author(s):  
Gabriele Saleh ◽  
Chen Xu ◽  
Stefano Sanvito

Structure, stability and reactivity of silver–tin alloy surfaces revealed using DFT calculations and discussed in the framework of lead-free soldering.


Planta Medica ◽  
2015 ◽  
Vol 81 (11) ◽  
Author(s):  
J Saurí ◽  
STS Chan ◽  
AV Buevich ◽  
KR Gustafson ◽  
RT Williamson ◽  
...  

2020 ◽  
Vol 90 (10) ◽  
pp. 68-73
Author(s):  
Kelley Dearing Smith ◽  
Daniel Tegene ◽  
Denise Aaron ◽  
Emily Fritz
Keyword(s):  

2015 ◽  
Vol 10 (1) ◽  
pp. 2641-2648
Author(s):  
Rizk Mostafa Shalaby ◽  
Mohamed Munther ◽  
Abu-Bakr Al-Bidawi ◽  
Mustafa Kamal

The greatest advantage of Sn-Zn eutectic is its low melting point (198 oC) which is close to the melting point. of Sn-Pb eutectic solder (183 oC), as well as its low price per mass unit compared with Sn-Ag and Sn-Ag-Cu solders. In this paper, the effect of 0.0, 1.0, 2.0, 3.0, 4.0, and 5.0 wt. % Al as ternary additions on melting temperature, microstructure, microhardness and mechanical properties of the Sn-9Zn lead-free solders were investigated. It is shown that the alloying additions of Al at 4 wt. % to the Sn-Zn binary system lead to lower of the melting point to 195.72 ˚C.  From x-ray diffraction analysis, an aluminium phase, designated α-Al is detected for 4 and 5 wt. % Al compositions. The formation of an aluminium phase causes a pronounced increase in the electrical resistivity and microhardness. The ternary Sn-9Zn-2 wt.%Al exhibits micro hardness superior to Sn-9Zn binary alloy. The better Vickers hardness and melting points of the ternary alloy is attributed to solid solution effect, grain size refinement and precipitation of Al and Zn in the Sn matrix.  The Sn-9%Zn-4%Al alloy is a lead-free solder designed for possible drop-in replacement of Pb-Sn solders.  


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