scholarly journals New red-emitting phosphor RbxK3−xSiF7:Mn4+ (x = 0, 1, 2, 3): DFT predictions and synthesis

RSC Advances ◽  
2019 ◽  
Vol 9 (68) ◽  
pp. 39589-39594 ◽  
Author(s):  
Seunghun Jang ◽  
June Kyu Park ◽  
Minseuk Kim ◽  
Kee-Sun Sohn ◽  
Chang Hae Kim ◽  
...  
Keyword(s):  
First Principles ◽  
First Principles Calculations ◽  
Red Phosphor ◽  
Structure And Stability ◽  
Mn Doped ◽  
Red Emitting Phosphor

We performed first-principles calculations for pristine and Mn-doped RbxK3−xSiF7 and predicted their various properties. In addition, we synthesized Rb2KSiF7:Mn4+ as a stable red phosphor and verified its PL properties, structure, and stability.

Electronic Structure and Optical Properties of a Mn-Doped InSe/WSe2 van der Walls Heterostructure: First Principles Calculations

2020 ◽  
Vol 77 (7) ◽  
pp. 587-591
Author(s):  
Rundong Liang ◽  
Xiuwen Zhao ◽  
Guichao Hu ◽  
Weiwei Yue ◽  
Xiaobo Yuan ◽  
...  
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
First Principles ◽  
First Principles Calculations ◽  
Mn Doped

scholarly journals Assessing structure and stability of polymer/lithium-metal interfaces from first-principles calculations

2019 ◽  
Vol 7 (14) ◽  
pp. 8394-8404 ◽  
Author(s):  
Mahsa Ebadi ◽  
Cleber Marchiori ◽  
Jonas Mindemark ◽  
Daniel Brandell ◽  
C. Moyses Araujo
Keyword(s):  
First Principles ◽  
Polymer Electrolytes ◽  
Solid Polymer Electrolytes ◽  
Solid Polymer ◽  
First Principles Calculations ◽  
Lithium Metal ◽  
Structure And Stability ◽  
Limited Degree ◽  
Metal Interfaces

Solid polymer electrolytes (SPEs) are promising candidates for Li metal battery applications, but the interface between these two categories of materials has so far been studied only to a limited degree.

Studies of magnetic interactions in Mn-doped β-Ga2O3 from first-principles calculations

2008 ◽  
Vol 58 (11) ◽  
pp. 943-946 ◽  
Author(s):  
Guangqing Pei ◽  
Changtai Xia ◽  
Yongjun Dong ◽  
Bo Wu ◽  
Tao Wang ◽  
...  
Keyword(s):  
First Principles ◽  
Magnetic Interactions ◽  
First Principles Calculations ◽  
Mn Doped

Mn-doped silicon nanowires: First-principles calculations

2008 ◽  
Vol 78 (11) ◽  
Author(s):  
G. Giorgi ◽  
X. Cartoixà ◽  
A. Sgamellotti ◽  
R. Rurali
Keyword(s):  
Silicon Nanowires ◽  
First Principles ◽  
First Principles Calculations ◽  
Doped Silicon ◽  
Mn Doped

First-principles calculations for magnetic properties of Mn-doped GaN nanotubes

2008 ◽  
Vol 372 (15) ◽  
pp. 2688-2691 ◽  
Author(s):  
Yanhua Guo ◽  
Mingxing Chen ◽  
Zhaohui Guo ◽  
Xiaohong Yan
Keyword(s):  
Magnetic Properties ◽  
First Principles ◽  
First Principles Calculations ◽  
Mn Doped
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