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Title: Combining experiment and computation to elucidate the optical properties of Ce[supercript 3+] in Ba[subscript 5]Si[subscript 8]O[subscript 21]

Authors:
; ; ; ; ; ;  [1]
  1. UST - China
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
Sponsoring Org.:
FOREIGN
OSTI Identifier:
1600783
Resource Type:
Journal Article
Journal Name:
Phys. Chem. Chem. Phys.
Additional Journal Information:
Journal Volume: 22; Journal Issue: (4) ; 2020
Country of Publication:
United States
Language:
ENGLISH

Citation Formats

Zhong, Jiyou, Hariyani, Shruti, Zhuo, Ya, Zhao, Weiren, Liu, Xiang, Wen, Jun, Brgoch, Jakoah, and Houston). Combining experiment and computation to elucidate the optical properties of Ce[supercript 3+] in Ba[subscript 5]Si[subscript 8]O[subscript 21]. United States: N. p., 2020. Web. doi:10.1039/C9CP05576B.
Zhong, Jiyou, Hariyani, Shruti, Zhuo, Ya, Zhao, Weiren, Liu, Xiang, Wen, Jun, Brgoch, Jakoah, & Houston). Combining experiment and computation to elucidate the optical properties of Ce[supercript 3+] in Ba[subscript 5]Si[subscript 8]O[subscript 21]. United States. doi:10.1039/C9CP05576B.
Zhong, Jiyou, Hariyani, Shruti, Zhuo, Ya, Zhao, Weiren, Liu, Xiang, Wen, Jun, Brgoch, Jakoah, and Houston). Thu . "Combining experiment and computation to elucidate the optical properties of Ce[supercript 3+] in Ba[subscript 5]Si[subscript 8]O[subscript 21]". United States. doi:10.1039/C9CP05576B.
@article{osti_1600783,
title = {Combining experiment and computation to elucidate the optical properties of Ce[supercript 3+] in Ba[subscript 5]Si[subscript 8]O[subscript 21]},
author = {Zhong, Jiyou and Hariyani, Shruti and Zhuo, Ya and Zhao, Weiren and Liu, Xiang and Wen, Jun and Brgoch, Jakoah and Houston)},
abstractNote = {},
doi = {10.1039/C9CP05576B},
journal = {Phys. Chem. Chem. Phys.},
number = (4) ; 2020,
volume = 22,
place = {United States},
year = {2020},
month = {2}
}

Works referenced in this record:

Solid-State Light Sources Getting Smart
journal, May 2005


Candela‐class high‐brightness InGaN/AlGaN double‐heterostructure blue‐light‐emitting diodes
journal, March 1994

  • Nakamura, Shuji; Mukai, Takashi; Senoh, Masayuki
  • Applied Physics Letters, Vol. 64, Issue 13, p. 1687-1689
  • DOI: 10.1063/1.111832

Recent progress in luminescence tuning of Ce 3+ and Eu 2+ -activated phosphors for pc-WLEDs
journal, January 2015

  • Li, Guogang; Tian, Ying; Zhao, Yun
  • Chemical Society Reviews, Vol. 44, Issue 23
  • DOI: 10.1039/C4CS00446A

Advances in Phosphors for Light-emitting Diodes
journal, May 2011

  • Lin, Chun Che; Liu, Ru-Shi
  • The Journal of Physical Chemistry Letters, Vol. 2, Issue 11
  • DOI: 10.1021/jz2002452

Consequences of Optimal Bond Valence on Structural Rigidity and Improved Luminescence Properties in Sr x Ba 2– x SiO 4 :Eu 2+ Orthosilicate Phosphors
journal, March 2014

  • Denault, Kristin A.; Brgoch, Jakoah; Gaultois, Michael W.
  • Chemistry of Materials, Vol. 26, Issue 7
  • DOI: 10.1021/cm500116u

Understanding Thermal Quenching of Photoluminescence in Oxynitride Phosphors from First Principles
journal, February 2016

  • Poncé, Samuel; Jia, Yongchao; Giantomassi, Matteo
  • The Journal of Physical Chemistry C, Vol. 120, Issue 7
  • DOI: 10.1021/acs.jpcc.5b12361

A Simple, Efficient Synthetic Route to Sr 2 Si 5 N 8 :Eu 2+ -Based Red Phosphors for White Light-Emitting Diodes
journal, November 2006

  • Xie, Rong-Jun; Hirosaki, Naoto; Suehiro, Takayuki
  • Chemistry of Materials, Vol. 18, Issue 23
  • DOI: 10.1021/cm061010n

Luminescence Properties of a Red Phosphor, CaAlSiN[sub 3]:Eu[sup 2+], for White Light-Emitting Diodes
journal, January 2006

  • Uheda, Kyota; Hirosaki, Naoto; Yamamoto, Yoshinobu
  • Electrochemical and Solid-State Letters, Vol. 9, Issue 4
  • DOI: 10.1149/1.2173192

Phase Separation in the System BaO-SiO2
journal, May 1968


Improving Quantum Efficiency and Thermal Stability in Blue-Emitting Ba 2– x Sr x SiO 4 :Ce 3+ Phosphor via Solid Solution
journal, July 2018


A zero-thermal-quenching phosphor
journal, February 2017

  • Kim, Yoon Hwa; Arunkumar, Paulraj; Kim, Bo Young
  • Nature Materials, Vol. 16, Issue 5
  • DOI: 10.1038/nmat4843

An improved experimental determination of external photoluminescence quantum efficiency
journal, March 1997

  • de Mello, John C.; Wittmann, H. Felix; Friend, Richard H.
  • Advanced Materials, Vol. 9, Issue 3
  • DOI: 10.1002/adma.19970090308

EXPGUI , a graphical user interface for GSAS
journal, April 2001


Self-Consistent Equations Including Exchange and Correlation Effects
journal, November 1965


Inhomogeneous Electron Gas
journal, November 1964


Ab initiomolecular dynamics for liquid metals
journal, January 1993


Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996


Hybrid functionals based on a screened Coulomb potential
journal, May 2003

  • Heyd, Jochen; Scuseria, Gustavo E.; Ernzerhof, Matthias
  • The Journal of Chemical Physics, Vol. 118, Issue 18
  • DOI: 10.1063/1.1564060

MOLCAS: a program package for computational chemistry
journal, October 2003


The a b i n i t i o model potential representation of the crystalline environment. Theoretical study of the local distortion on NaCl:Cu +
journal, November 1988

  • Barandiarán, Zoila; Seijo, Luis
  • The Journal of Chemical Physics, Vol. 89, Issue 9
  • DOI: 10.1063/1.455549

Second-order perturbation theory with a CASSCF reference function
journal, July 1990

  • Andersson, Kerstin.; Malmqvist, Per Aake.; Roos, Bjoern O.
  • The Journal of Physical Chemistry, Vol. 94, Issue 14
  • DOI: 10.1021/j100377a012

The multi-state CASPT2 method
journal, May 1998


A complete active space SCF method (CASSCF) using a density matrix formulated super-CI approach
journal, May 1980


The complete active space SCF (CASSCF) method in a Newton–Raphson formulation with application to the HNO molecule
journal, February 1981

  • Siegbahn, Per E. M.; Almlöf, Jan; Heiberg, Anders
  • The Journal of Chemical Physics, Vol. 74, Issue 4
  • DOI: 10.1063/1.441359