A computational view of the change in the geometric and electronic properties of perovskites caused by the partial substitution of Pb by Sn

2015 ◽  
Vol 17 (27) ◽  
pp. 17679-17687 ◽  
Author(s):  
Ming-Gang Ju ◽  
Guangxu Sun ◽  
Yi Zhao ◽  
WanZhen Liang
Keyword(s):  
Electronic Properties ◽  
Partial Substitution ◽  
Structure Property ◽  
Property Relationship ◽  
Structure Property Relationship ◽  
Relationship Of ◽  
Geometric And Electronic Properties

It is essential to understand the structure-property relationship of mixed Sn/Pb perovskites, which helps to avoid the toxicology issue of lead in perovskite-based devices.

scholarly journals Insight into the structure–property relationship of UO2 nanoparticles

2021 ◽  
Author(s):  
Evgeny Gerber ◽  
Anna Yu. Romanchuk ◽  
Stephan Weiss ◽  
Stephen Bauters ◽  
Bianca Schacherl ◽  
...  
Keyword(s):  
Electronic Properties ◽  
Oxidation State ◽  
Structure Property ◽  
X Ray ◽  
Property Relationship ◽  
Structural And Electronic Properties ◽  
Structure Property Relationship ◽  
Relationship Of ◽  
Insight Into

We show that the structural and electronic properties of UO2 NPs (2–3 nm) are similar to those of bulk UO2 under inert conditions, with U(iv) as the dominating oxidation state, though NPs oxidize with time and under the X-ray beam.

Structure–property relationship of acceptor-substituted oligothiophenes

Tetrahedron ◽  
2010 ◽  
Vol 66 (45) ◽  
pp. 8729-8733 ◽  
Author(s):  
M.S. Wrackmeyer ◽  
M. Hummert ◽  
H. Hartmann ◽  
M.K. Riede ◽  
K. Leo
Keyword(s):  
Structure Property ◽  
Property Relationship ◽  
Structure Property Relationship ◽  
Relationship Of

Structure-property relationship of pH-sensitive (PCL)2(PDEA-b-PPEGMA)2micelles: Experiment and DPD simulation

AIChE Journal ◽  
2014 ◽  
Vol 60 (10) ◽  
pp. 3634-3646 ◽  
Author(s):  
Wen Jing Lin ◽  
Shu Yu Nie ◽  
Quan Chen ◽  
Yu Qian ◽  
Xiu Fang Wen ◽  
...  
Keyword(s):  
Ph Sensitive ◽  
Structure Property ◽  
Property Relationship ◽  
Structure Property Relationship ◽  
Relationship Of ◽  
Dpd Simulation

scholarly journals DFT Studies on Structure-Property Relationship of (I2AlN3)n (n = 1-4) Clusters

2014 ◽  
Vol 26 (19) ◽  
pp. 6451-6455
Author(s):  
Dengxue Ma ◽  
Wenwei Zhao ◽  
Baohui Li ◽  
Qiying Xia ◽  
Guangfu Ji
Keyword(s):  
Dft Studies ◽  
Structure Property ◽  
Property Relationship ◽  
Structure Property Relationship ◽  
Relationship Of

scholarly journals Comparative Study of Structure Property Relationship of Extruded and Additively Manufactured WE43

2021 ◽  
Author(s):  
Prathviraj Upadhyaya ◽  
Sinéad O'Halloran ◽  
Dr. Oliver McCarthy ◽  
Dr. Triona Kennedy ◽  
Dr. Ramesh Raghavendra
Keyword(s):  
Comparative Study ◽  
Structure Property ◽  
Property Relationship ◽  
Structure Property Relationship ◽  
Relationship Of
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