Luminescence and electronic properties of Ba2MgSi2O7:Eu2+: a combined experimental and hybrid density functional theory study

Jing Yan; Lixin Ning; Yucheng Huang; Chunmeng Liu; Dejian Hou; Bingbing Zhang; Yan Huang; Ye Tao; Hongbin Liang

doi:10.1039/c4tc01332h

Luminescence and electronic properties of Ba2MgSi2O7:Eu2+: a combined experimental and hybrid density functional theory study

Journal of Materials Chemistry C ◽

10.1039/c4tc01332h ◽

2014 ◽

Vol 2 (39) ◽

pp. 8328-8332 ◽

Cited By ~ 27

Author(s):

Jing Yan ◽

Lixin Ning ◽

Yucheng Huang ◽

Chunmeng Liu ◽

Dejian Hou ◽

...

Keyword(s):

Density Functional Theory ◽

Dft Calculations ◽

Electronic Properties ◽

Density Functional ◽

Low Voltage ◽

Hybrid Density Functional Theory ◽

Density Functional Theory Study ◽

Functional Theory ◽

Hybrid Density Functional

Luminescence and electronic properties of Ba2MgSi2O7:Eu2+ were investigated under optical and low-voltage cathode ray excitations and by hybrid DFT calculations.

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A hybrid density functional theory study of the anion distribution and applied electronic properties of the LaTiO2N semiconductor photocatalyst

Physical Chemistry Chemical Physics ◽

10.1039/c5cp02606g ◽

2015 ◽

Vol 17 (29) ◽

pp. 19631-19636 ◽

Cited By ~ 9

Author(s):

Xin Wang ◽

Zhaosheng Li ◽

Zhigang Zou

Keyword(s):

Density Functional Theory ◽

Electronic Properties ◽

Density Functional ◽

Hybrid Density Functional Theory ◽

Density Functional Theory Study ◽

Functional Theory ◽

Anion Distribution ◽

Hybrid Density Functional ◽

Semiconductor Photocatalyst

The LaTiO2N structure is theoretically obtained as aperiodic stacks of primitive cells.

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Thickness dependent structural and electronic properties of CuO grown on SrTiO3(100): a hybrid density functional theory study

Journal of Physics Condensed Matter ◽

10.1088/0953-8984/23/4/045004 ◽

2010 ◽

Vol 23 (4) ◽

pp. 045004 ◽

Cited By ~ 6

Author(s):

C Franchini ◽

Xing-Qiu Chen ◽

R Podloucky

Keyword(s):

Density Functional Theory ◽

Electronic Properties ◽

Density Functional ◽

Hybrid Density Functional Theory ◽

Density Functional Theory Study ◽

Functional Theory ◽

Structural And Electronic Properties ◽

Hybrid Density Functional

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Hybrid Density Functional Theory Study on Structural and Optoelectronic Properties of ZnSe1–xTex for the Photocatalytic Applications

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.1c03670 ◽

2021 ◽

Author(s):

Sajjad Hussain ◽

Lingju Guo ◽

Tao He

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Optoelectronic Properties ◽

Hybrid Density Functional Theory ◽

Density Functional Theory Study ◽

Functional Theory ◽

Structural And Optoelectronic Properties ◽

Hybrid Density Functional ◽

Photocatalytic Applications

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Structural and electronic properties of UnOm (n=1-3,m=1-3n) clusters: A theoretical study using screened hybrid density functional theory

The Journal of Chemical Physics ◽

10.1063/1.4948779 ◽

2016 ◽

Vol 144 (18) ◽

pp. 184304 ◽

Cited By ~ 5

Author(s):

Yu Yang ◽

Haitao Liu ◽

Ping Zhang

Keyword(s):

Density Functional Theory ◽

Electronic Properties ◽

Density Functional ◽

Theoretical Study ◽

Hybrid Density Functional Theory ◽

Functional Theory ◽

Structural And Electronic Properties ◽

Hybrid Density Functional

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Hybrid density functional theory study of vanadium doping in stoichiometric and congruent LiNbO3

Physical Review B ◽

10.1103/physrevb.99.035147 ◽

2019 ◽

Vol 99 (3) ◽

Cited By ~ 6

Author(s):

Yongjun Fan ◽

Lili Li ◽

Yanlu Li ◽

Xueqin Sun ◽

Xian Zhao

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Hybrid Density Functional Theory ◽

Density Functional Theory Study ◽

Functional Theory ◽

Vanadium Doping ◽

Hybrid Density Functional

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Enhancement of DFT-calculations at petascale: Nuclear Magnetic Resonance, Hybrid Density Functional Theory and Car–Parrinello calculations

Computer Physics Communications ◽

10.1016/j.cpc.2013.03.003 ◽

2013 ◽

Vol 184 (8) ◽

pp. 1827-1833 ◽

Cited By ~ 15

Author(s):

Nicola Varini ◽

Davide Ceresoli ◽

Layla Martin-Samos ◽

Ivan Girotto ◽

Carlo Cavazzoni

Keyword(s):

Density Functional Theory ◽

Nuclear Magnetic Resonance ◽

Magnetic Resonance ◽

Dft Calculations ◽

Density Functional ◽

Hybrid Density Functional Theory ◽

Functional Theory ◽

Hybrid Density Functional ◽

Resonance Hybrid ◽

Nuclear Magnetic

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Hybrid density functional theory study of Cu(In1−xGax)Se2 band structure for solar cell application

AIP Advances ◽

10.1063/1.4893238 ◽

2014 ◽

Vol 4 (8) ◽

pp. 087118 ◽

Cited By ~ 6

Author(s):

Xu-Dong Chen ◽

Lin Chen ◽

Qing-Qing Sun ◽

Peng Zhou ◽

David Wei Zhang

Keyword(s):

Density Functional Theory ◽

Solar Cell ◽

Band Structure ◽

Density Functional ◽

Hybrid Density Functional Theory ◽

Density Functional Theory Study ◽

Functional Theory ◽

Solar Cell Application ◽

Hybrid Density Functional

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High level ab initio and a hybrid density functional theory study of the bond dissociation energies and heats of formation for FOOF and FOOCl

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(98)00253-x ◽

1999 ◽

Vol 459 (1-3) ◽

pp. 23-27 ◽

Cited By ~ 14

Author(s):

Branko S. Jursic

Keyword(s):

Density Functional Theory ◽

Ab Initio ◽

Density Functional ◽

Hybrid Density Functional Theory ◽

Bond Dissociation Energies ◽

Density Functional Theory Study ◽

Functional Theory ◽

Dissociation Energies ◽

High Level ◽

Hybrid Density Functional

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High level of ab initio and hybrid density functional theory study of electron affinities for some multi-spin diatomic molecules

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(98)00196-1 ◽

1998 ◽

Vol 453 (1-3) ◽

pp. 149-152 ◽

Cited By ~ 13

Author(s):

Branko S Jursic

Keyword(s):

Density Functional Theory ◽

Ab Initio ◽

Density Functional ◽

Diatomic Molecules ◽

Hybrid Density Functional Theory ◽

Electron Affinities ◽

Density Functional Theory Study ◽

Functional Theory ◽

High Level ◽

Hybrid Density Functional

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Band offsets of CuInSe2/CdS and CuInSe2/ZnS (110) interfaces: A hybrid density functional theory study

Physical Review B ◽

10.1103/physrevb.88.035305 ◽

2013 ◽

Vol 88 (3) ◽

Cited By ~ 35

Author(s):

Yoyo Hinuma ◽

Fumiyasu Oba ◽

Yu Kumagai ◽

Isao Tanaka

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Hybrid Density Functional Theory ◽

Density Functional Theory Study ◽

Functional Theory ◽

Band Offsets ◽

Hybrid Density Functional

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