Electronic structure and stability of the (0 0 1) surface of halide double perovskite Cs2AgBiBr6

2021 ◽  
Vol 570 ◽  
pp. 151223
Author(s):  
Yu-Qian Zhou ◽  
Jian-Bo Liu ◽  
Bai-Xin Liu
Keyword(s):  
Electronic Structure ◽  
Double Perovskite ◽  
Structure And Stability

Electronic structure and stability of Li1 + xMn2 − xO4 spinels

2000 ◽  
Vol 10 (6) ◽  
pp. 1437-1441 ◽  
Author(s):  
Helena Berg ◽  
Kenneth Göransson ◽  
Bengt Noläng ◽  
John O. Thomas
Keyword(s):  
Electronic Structure ◽  
Structure And Stability

scholarly journals The electronic structure and stability of germanium tubes Ge30H12 and Ge33H12

2018 ◽  
Vol 20 (36) ◽  
pp. 23467-23479 ◽  
Author(s):  
Long Van Duong ◽  
Eduard Matito ◽  
Miquel Solà ◽  
Hadi Behzadi ◽  
Mohammad Jafar Momeni ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Dft Calculations ◽  
Structure And Stability ◽  
Molecular And Electronic Structure

To explore the possibility of large cylindrical Ge clusters, we investigated the molecular and electronic structure of the germanium tube Ge30H12, composed of six parallel, planar hexagons using DFT calculations, and Ge33H12 generated from the insertion of Ge atoms at the center of three inner hexagons of Ge30H12.

Electronic Structure, Optical and Transport Properties of Double Perovskite La2NbMnO6: A Theoretical Understanding from DFT Calculations

2018 ◽  
Vol 47 (7) ◽  
pp. 3615-3621 ◽  
Author(s):  
Khursheed Ahmad Parrey ◽  
Shakeel Ahmad Khandy ◽  
Ishtihadah Islam ◽  
Amel Laref ◽  
Dinesh C. Gupta ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Dft Calculations ◽  
Transport Properties ◽  
Double Perovskite ◽  
Theoretical Understanding

Exploring redox activity in a LiCoPO4–LiCo2P3O10 tailored positive electrode for 5 V lithium ion batteries: rigid band behavior of the electronic structure and stability of the delithiated phase

2018 ◽  
Vol 6 (12) ◽  
pp. 4966-4970 ◽  
Author(s):  
Gennady Cherkashinin ◽  
Mikhail V. Lebedev ◽  
Sankaramangalam U. Sharath ◽  
Andreas Hajduk ◽  
Silvia Nappini ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Cathode Material ◽  
Lithium Ion Batteries ◽  
Lithium Ion ◽  
Positive Electrode ◽  
Redox Activity ◽  
The Novel ◽  
Structure And Stability

The novel LiCoPO4–LiCo2P3O10 cathode material: a rigid band behavior of the electronic structure.

Electronic Structure and Magnetism of Double Perovskite Sr2-xLaxCrReO6

2008 ◽  
Vol 24 (03) ◽  
pp. 448-452
Author(s):  
MIAO Yue ◽  
◽  
◽  
YUAN Hong-Kuan ◽  
CHEN Hong
Keyword(s):  
Electronic Structure ◽  
Double Perovskite
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