Electronic, optical and thermoelectric properties of novel two-dimensional SbXY (X=Se, Te; Y=Br, I) family: ab initio perspective

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Hoat Do Minh ◽  
Hamad R. Jappor ◽  
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Keyword(s):  
Ab Initio ◽  
Thermoelectric Properties ◽  
Atomic Structure ◽  
Two Dimensional ◽  
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Recent developments in the synthesis of highly crystalline ultrathin BiTeX (X= Br, Cl) structures [Debarati Hajra et al., ACS Nano 14, 15626 (2020)] have led to exploring the atomic structure,...

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Jia Song ◽  
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Keyword(s):  
Ab Initio ◽  
Transport Property ◽  
Thermal Transport ◽  
Two Dimensional ◽  
Ab Initio Study ◽  
Thermal Transport Property

ChemInform Abstract: High-Throughput ab initio Screening for Two-Dimensional Electride Materials.

ChemInform ◽  
2014 ◽  
Vol 45 (48) ◽  
pp. no-no
Author(s):  
Tomofumi Tada ◽  
Seiji Takemoto ◽  
Satoru Matsuishi ◽  
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Keyword(s):  
Ab Initio ◽  
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One- and two-dimensional carbon nanostructures based on unfolded buckyballs: An ab initio investigation of their electronic properties

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Vol 95 (19) ◽  
Author(s):  
Francisco Iago Lira Passos ◽  
José Gadelha da Silva Filho ◽  
Aldilene Saraiva-Souza ◽  
Antônio Gomes Souza Filho ◽  
Vincent Meunier ◽  
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Ab Initio ◽  
Electronic Properties ◽  
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