Zero-dimensional metal oxide Li4TiO4

doi:https://doi.org/10.1039/C9TC00197B

Title: Zero-dimensional metal oxide Li ₄TiO ₄

Abstract

Low-dimensional metal halides have recently emerged as promising luminescent materials; however, chemical and thermal instabilities of halides present challenges to their practical applications. Here, this work extends the current research on low-dimensional metal halides to oxides with improved stability and new functionalities.

Authors:

^[1]

Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

Publication Date:: 2019-04-25

Research Org.:: Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

Sponsoring Org.:: USDOE

OSTI Identifier:: 1513387

Alternate Identifier(s):: OSTI ID: 1508875

Grant/Contract Number:: AC05-00OR22725

Resource Type:: Journal Article: Accepted Manuscript

Journal Name:: Journal of Materials Chemistry C

Additional Journal Information:: Journal Volume: 7; Journal Issue: 19; Journal ID: ISSN 2050-7526

Publisher:: Royal Society of Chemistry

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE

Citation Formats


                    Du, Mao -Hua. Zero-dimensional metal oxide Li4TiO4.  United States: N. p., 2019. 
        Web.  doi:10.1039/C9TC00197B.

Copy to clipboard


                    Du, Mao -Hua. Zero-dimensional metal oxide Li4TiO4.  United States.  https://doi.org/10.1039/C9TC00197B

Copy to clipboard


                    Du, Mao -Hua. Thu .  
        "Zero-dimensional metal oxide Li4TiO4".  United States.  https://doi.org/10.1039/C9TC00197B.  https://www.osti.gov/servlets/purl/1513387.

Copy to clipboard


                    
@article{osti_1513387,

  title        = {Zero-dimensional metal oxide Li4TiO4},

  author       = {Du, Mao -Hua},

  abstractNote = {Low-dimensional metal halides have recently emerged as promising luminescent materials; however, chemical and thermal instabilities of halides present challenges to their practical applications. Here, this work extends the current research on low-dimensional metal halides to oxides with improved stability and new functionalities.},

  doi          = {10.1039/C9TC00197B},

  url          = {https://www.osti.gov/biblio/1513387},
  journal      = {Journal of Materials Chemistry C},

  issn         = {2050-7526},

  number       = 19,

  volume       = 7,

  place        = {United States},

  year         = {2019},

  month        = {4}

}

Copy to clipboard

Journal Article:

Free Publicly Available Full Text

Accepted Manuscript (DOE)

Publisher's Version of Record

https://doi.org/10.1039/C9TC00197B

Other availability

Search WorldCat to find libraries that may hold this journal

Citation Metrics:

Cited by: 2 works

Citation information provided by
Web of Science

Save / Share:

Export Metadata

Save to My Library

Works referenced in this record:

Energy transport and scintillation of cerium-doped elpasolite Cs $_{2}$ LiYCl $_{6}$ : Hybrid density functional calculations
journal, July 2012

Biswas, Koushik; Du, Mao-Hua
Physical Review B, Vol. 86, Issue 1
https://doi.org/10.1103/PhysRevB.86.014102

Generalized Gradient Approximation Made Simple
journal, October 1996

Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
https://doi.org/10.1103/PhysRevLett.77.3865

Zero-dimensional Cs ₄ EuX ₆ (X = Br, I) all-inorganic perovskite single crystals for gamma-ray spectroscopy
journal, January 2018

Wu, Yuntao; Han, Dan; Chakoumakos, Bryan C.
Journal of Materials Chemistry C, Vol. 6, Issue 25
https://doi.org/10.1039/C8TC01458B

New Family of Cerium Halide Based Materials: CeX ₃ ·ROH Compounds Containing Planes, Chains, and Tetradecanuclear Rings
journal, September 2012

Vaughn, Shae Anne; Chakoumakos, Bryan C.; Custelcean, Radu
Inorganic Chemistry, Vol. 51, Issue 20
https://doi.org/10.1021/ic3003349

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
https://doi.org/10.1063/1.1564060

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996

Kresse, G.; Furthmüller, J.
Computational Materials Science, Vol. 6, Issue 1, p. 15-50
https://doi.org/10.1016/0927-0256(96)00008-0

A One-Dimensional Organic Lead Chloride Hybrid with Excitation-Dependent Broadband Emissions
journal, May 2018

Wu, Guanhong; Zhou, Chenkun; Ming, Wenmei
ACS Energy Letters, Vol. 3, Issue 6
https://doi.org/10.1021/acsenergylett.8b00661

Predicting Band Gaps with Hybrid Density Functionals
journal, October 2016

Garza, Alejandro J.; Scuseria, Gustavo E.
The Journal of Physical Chemistry Letters, Vol. 7, Issue 20
https://doi.org/10.1021/acs.jpclett.6b01807

Polarization of the x-ray-induced blue luminescence in quartz
journal, August 1986

Tanimura, K.; Halliburton, L. E.
Physical Review B, Vol. 34, Issue 4
https://doi.org/10.1103/PhysRevB.34.2933

Potential-energy surfaces for excited states in extended systems
journal, March 2004

Hellman, A.; Razaznejad, B.; Lundqvist, B. I.
The Journal of Chemical Physics, Vol. 120, Issue 10
https://doi.org/10.1063/1.1645787

Improvement of the growth of Li4SiO4 single crystals for neutron detection and their scintillation and luminescence properties
journal, January 2017

Pejchal, Jan; Babin, Vladimir; Beitlerova, Alena
Journal of Crystal Growth, Vol. 457
https://doi.org/10.1016/j.jcrysgro.2016.02.008

Unraveling luminescence mechanisms in zero-dimensional halide perovskites
journal, January 2018

Han, Dan; Shi, Hongliang; Ming, Wenmei
Journal of Materials Chemistry C, Vol. 6, Issue 24
https://doi.org/10.1039/C8TC01291A

Dual behavior of excess electrons in rutile TiO ₂
journal, January 2013

Janotti, A.; Franchini, C.; Varley, J. B.
physica status solidi (RRL) - Rapid Research Letters, Vol. 7, Issue 3
https://doi.org/10.1002/pssr.201206464

Dimensional Reduction: A Practical Formalism for Manipulating Solid Structures
journal, April 2001

Tulsky, Eric G.; Long, Jeffrey R.
Chemistry of Materials, Vol. 13, Issue 4
https://doi.org/10.1021/cm0007858

Lead-Free Highly Efficient Blue-Emitting Cs ₃ Cu ₂ I ₅ with 0D Electronic Structure
journal, September 2018

Jun, Taehwan; Sim, Kihyung; Iimura, Soshi
Advanced Materials, Vol. 30, Issue 43
https://doi.org/10.1002/adma.201804547

Stability Issues on Perovskite Solar Cells
journal, November 2015

Zhao, Xing; Park, Nam-Gyu
Photonics, Vol. 2, Issue 4
https://doi.org/10.3390/photonics2041139

Facile Preparation of Light Emitting Organic Metal Halide Crystals with Near-Unity Quantum Efficiency
journal, March 2018

Zhou, Chenkun; Worku, Michael; Neu, Jennifer
Chemistry of Materials, Vol. 30, Issue 7
https://doi.org/10.1021/acs.chemmater.8b00129

Vacancies and small polarons in ${SrTiO}_{3}$
journal, August 2014

Janotti, Anderson; Varley, Joel B.; Choi, Minseok
Physical Review B, Vol. 90, Issue 8
https://doi.org/10.1103/PhysRevB.90.085202

Crystal Structure Refinement of Li4TiO4 Containing Tetrahedrally Coordinated Ti4+ and Tetragonally Packed Oxide Ions
journal, September 1994

Gunawardane, R. P.; Fletcher, J. G.; Dissanayake, M. A. K. L.
Journal of Solid State Chemistry, Vol. 112, Issue 1
https://doi.org/10.1006/jssc.1994.1266

Organic–Inorganic Perovskites: Structural Versatility for Functional Materials Design
journal, March 2016

Saparov, Bayrammurad; Mitzi, David B.
Chemical Reviews, Vol. 116, Issue 7
https://doi.org/10.1021/acs.chemrev.5b00715

Low-Dimensional Organometal Halide Perovskites
journal, November 2017

Lin, Haoran; Zhou, Chenkun; Tian, Yu
ACS Energy Letters, Vol. 3, Issue 1
https://doi.org/10.1021/acsenergylett.7b00926

Synthesis, Crystal and Electronic Structures, and Optical Properties of (CH ₃ NH ₃ ) ₂ CdX ₄ (X = Cl, Br, I)
journal, November 2017

Roccanova, Rachel; Ming, Wenmei; Whiteside, Vincent R.
Inorganic Chemistry, Vol. 56, Issue 22
https://doi.org/10.1021/acs.inorgchem.7b01986

From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999

Kresse, G.; Joubert, D.
Physical Review B, Vol. 59, Issue 3, p. 1758-1775
https://doi.org/10.1103/PhysRevB.59.1758

Density-functional theory beyond the Hohenberg-Kohn theorem
journal, May 1999

Görling, Andreas
Physical Review A, Vol. 59, Issue 5
https://doi.org/10.1103/PhysRevA.59.3359

Impurity-bound small polarons in ZnO: Hybrid density functional calculations
journal, September 2009

Du, Mao-Hua; Zhang, S. B.
Physical Review B, Vol. 80, Issue 11
https://doi.org/10.1103/PhysRevB.80.115217

Discrete Electronic Bands in Semiconductors and Insulators: Potential High-Light-Yield Scintillators
journal, May 2015

Shi, Hongliang; Du, Mao-Hua
Physical Review Applied, Vol. 3, Issue 5
https://doi.org/10.1103/PhysRevApplied.3.054005

Luminescent zero-dimensional organic metal halide hybrids with near-unity quantum efficiency
journal, January 2018

Zhou, Chenkun; Lin, Haoran; Tian, Yu
Chemical Science, Vol. 9, Issue 3
https://doi.org/10.1039/C7SC04539E

A Zero-Dimensional Organic Seesaw-Shaped Tin Bromide with Highly Efficient Strongly Stokes-Shifted Deep-Red Emission
journal, December 2017

Zhou, Chenkun; Lin, Haoran; Shi, Hongliang
Angewandte Chemie International Edition, Vol. 57, Issue 4
https://doi.org/10.1002/anie.201710383

Small hole polarons in rare-earth titanates
journal, June 2015

Bjaalie, L.; Ouellette, D. G.; Moetakef, P.
Applied Physics Letters, Vol. 106, Issue 23
https://doi.org/10.1063/1.4922316

Photoluminescent Materials for Solid-State Lighting: State of the Art and Future Challenges
journal, January 2015

Meyer, Jörg; Tappe, Frank
Advanced Optical Materials, Vol. 3, Issue 4
https://doi.org/10.1002/adom.201400511

Assessment of correction methods for the band-gap problem and for finite-size effects in supercell defect calculations: Case studies for ZnO and GaAs
journal, December 2008

Lany, Stephan; Zunger, Alex
Physical Review B, Vol. 78, Issue 23, Article No. 235104
https://doi.org/10.1103/PhysRevB.78.235104

The density functional formalism, its applications and prospects
journal, July 1989

Jones, R. O.; Gunnarsson, O.
Reviews of Modern Physics, Vol. 61, Issue 3
https://doi.org/10.1103/RevModPhys.61.689

Low dimensional metal halide perovskites and hybrids
journal, July 2019

Zhou, Chenkun; Lin, Haoran; He, Qingquan
Materials Science and Engineering: R: Reports, Vol. 137
https://doi.org/10.1016/j.mser.2018.12.001

Impact of metal $n s^{2}$ lone pair on luminescence quantum efficiency in low-dimensional halide perovskites
journal, March 2019

Shi, Hongliang; Han, Dan; Chen, Shiyou
Physical Review Materials, Vol. 3, Issue 3
https://doi.org/10.1103/PhysRevMaterials.3.034604

Neutron scattering lengths and cross sections
journal, January 1992

Sears, Varley F.
Neutron News, Vol. 3, Issue 3
https://doi.org/10.1080/10448639208218770

White-Light Emission from Layered Halide Perovskites
journal, February 2018

Smith, Matthew D.; Karunadasa, Hemamala I.
Accounts of Chemical Research, Vol. 51, Issue 3
https://doi.org/10.1021/acs.accounts.7b00433

Dimensional Reduction: A Design Tool for New Radiation Detection Materials
journal, August 2011

Androulakis, John; Peter, Sebastian C.; Li, Hao
Advanced Materials, Vol. 23, Issue 36
https://doi.org/10.1002/adma.201102450

Highly Emissive Self-Trapped Excitons in Fully Inorganic Zero-Dimensional Tin Halides
journal, July 2018

Benin, Bogdan M.; Dirin, Dmitry N.; Morad, Viktoriia
Angewandte Chemie International Edition, Vol. 57, Issue 35
https://doi.org/10.1002/anie.201806452

Review: Down Conversion Materials for Solid-State Lighting
journal, April 2014

McKittrick, Joanna; Shea-Rohwer, Lauren E.
Journal of the American Ceramic Society, Vol. 97, Issue 5
https://doi.org/10.1111/jace.12943

Rationale for mixing exact exchange with density functional approximations
journal, December 1996

Perdew, John P.; Ernzerhof, Matthias; Burke, Kieron
The Journal of Chemical Physics, Vol. 105, Issue 22, p. 9982-9985
https://doi.org/10.1063/1.472933

Near-Unity Photoluminescence Quantum Yield in Blue-Emitting Cs ₃ Cu ₂ Br _{5– x} I _x (0 ≤ x ≤ 5)
journal, February 2019

Roccanova, Rachel; Yangui, Aymen; Nhalil, Hariharan
ACS Applied Electronic Materials, Vol. 1, Issue 3
https://doi.org/10.1021/acsaelm.9b00015

Single-crystal CeCl3(CH3OH)4: A new metal-organic cerium chloride methanol adduct for scintillator applications
journal, December 2008

Boatner, L. A.; Wisniewski, D.; Neal, J. S.
Applied Physics Letters, Vol. 93, Issue 24
https://doi.org/10.1063/1.3049137

Atomistic Mechanism of Broadband Emission in Metal Halide Perovskites
journal, January 2019

Wang, Xiaoming; Meng, Weiwei; Liao, Weiqiang
The Journal of Physical Chemistry Letters, Vol. 10, Issue 3
https://doi.org/10.1021/acs.jpclett.8b03717

A Zero-Dimensional Organic Seesaw-Shaped Tin Bromide with Highly Efficient Strongly Stokes-Shifted Deep-Red Emission
journal, December 2017

Zhou, Chenkun; Lin, Haoran; Shi, Hongliang
Angewandte Chemie, Vol. 130, Issue 4
https://doi.org/10.1002/ange.201710383

Highly Emissive Self-Trapped Excitons in Fully Inorganic Zero-Dimensional Tin Halides
journal, July 2018

Benin, Bogdan M.; Dirin, Dmitry N.; Morad, Viktoriia
Angewandte Chemie, Vol. 130, Issue 35
https://doi.org/10.1002/ange.201806452

Works referencing / citing this record:

Electronic shell structures, self-trapped excitons, and defect-bound excitons in Li ₂ B ₁₂ H ₁₂
journal, January 2019

Du, Mao-Hua; Shi, Hongliang; Zhang, S. B.
Journal of Materials Chemistry C, Vol. 7, Issue 45
https://doi.org/10.1039/c9tc04150h

Similar records in OSTI.GOV collections:

Bulk Assembly of Zero-Dimensional Organic Lead Bromide Hybrid with Efficient Blue Emission

Journal Article Lin, Haoran ; Zhou, Chenkun ; Chaaban, Maya ; ... - ACS Materials Letters

Zero-dimensional (0D) organic metal halide hybrids are an emerging class of light emitting materials with exceptional photoluminescence quantum efficiencies (PLQEs), thanks to their perfect “host–guest” structures with light emitting metal halide species periodically “embedded” in a wide band gap organic cationic matrix through ionic bonds. However, achieving efficient blue emissions is challenging for this class of materials, as structural distortions of metal halides often lead to large Stokes shifts. Here we report a highly luminescent blue emitting 0D organic lead bromide, (C ₁₃H ₁₉N ₄) ₂PbBr ₄, with a peak emission of 460 nm (2.70 eV), a full width atmore »« less
https://doi.org/10.1021/acsmaterialslett.9b00333

Full Text Available
Reaching 90% Photoluminescence Quantum Yield in One-Dimensional Metal Halide C ₄N ₂H ₁₄PbBr ₄ by Pressure-Suppressed Nonradiative Loss

Journal Article Wang, Yingqi ; Guo, Songhao ; Luo, Hui ; ... - Journal of the American Chemical Society

Low-dimensional perovskite-related metal halides have emerged as a new class of light-emitting materials with tunable broadband emission from self-trapped excitons (STEs). Although various types of low-dimensional structures have been developed, fundamental understating of the structure–property relationships for this class of materials is still very limited, and further improvement of their optical properties remains greatly important. Here, we report a significant pressure-induced photoluminescence (PL) enhancement in a one-dimensional hybrid metal halide C ₄N ₂H ₁₄PbBr ₄, and the underlying mechanisms are investigated using in situ experimental characterization and first-principles calculations. Under a gigapascal pressure scale, the PL quantum yields (PLQYs) weremore »« less
https://doi.org/10.1021/jacs.0c07166
Bright Luminescence from Nontoxic CsCu ₂X ₃ (X = Cl, Br I)

Journal Article Roccanova, Rachel ; Yangui, Aymen ; Seo, Gijun ; ... - ACS Materials Letters

Inexpensive and highly efficient luminescent materials based on multinary halides have received increased attention in recent years. Among those considered most promising are the perovskites such as CsPbX ₃ because of their highly efficient and tunable emission through precise control of chemical composition and nanostructuring. However, the presence of the toxic heavy metal Pb and relatively poor stability are among the major challenges for the introduction of lead-halide-based materials into the marketplace. In this paper, we report the optical properties of nontoxic and highly emissive one-dimensional (1D) all-inorganic halides CsCu ₂X ₃ (X = Cl, Br, I) and their mixedmore »« less
https://doi.org/10.1021/acsmaterialslett.9b00274

Full Text Available
Zero-dimensional Cs ₄EuX ₆ (X = Br, I) all-inorganic perovskite single crystals for gamma-ray spectroscopy

Journal Article Wu, Yuntao ; Han, Dan ; Chakoumakos, Bryan C. ; ... - Journal of Materials Chemistry C

Organic–inorganic and all-inorganic halide perovskites have become leading candidates toward high-performance optoelectronic devices and radiation detectors. In this work, we report novel zero-dimensional Cs ₄EuX ₆ (X = Br, I) perovskite single crystals as self-activated scintillators with superior performance for gamma-ray spectroscopy. Both Cs ₄EuBr ₆ and Cs ₄EuI ₆ single crystals grown by the Bridgman method were determined to have the trigonal crystal structure with the R$$\bar{3}$$c space group, and have a melting point of approximately 540°C. Cs ₄EuBr ₆ and Cs4EuI ₆ exhibit blue emission under UV excitation and high light yields of 78,000 ± 4000 photons/MeV andmore »« less
Cited by 5
https://doi.org/10.1039/C8TC01458B

Full Text Available
Impact of metal $n s^{2}$ lone pair on luminescence quantum efficiency in low-dimensional halide perovskites

Journal Article Shi, Hongliang ; Han, Dan ; Chen, Shiyou ; ... - Physical Review Materials

Based on first-principles calculations, we show that chemically active metal ns ² lone pairs play an important role in exciton relaxation and dissociation in low-dimensional halide perovskites. Here, we studied excited-state properties of several recently discovered luminescent all-inorganic and hybrid organic-inorganic zero-dimensional (0D) Sn and Pb halides. The results show that, despite the similarity in ground-state electronic structure between Sn and Pb halide perovskites, the chemically more active Sn ²⁺ lone pair leads to stronger excited-state structural distortion and larger Stokes shift in Sn halides. The enhanced Stokes shift hinders excitation energy transport, which reduces energy loss to defects andmore »« less
Cited by 8
https://doi.org/10.1103/PhysRevMaterials.3.034604

Full Text Available

Similar Records

Title: Zero-dimensional metal oxide Li 4TiO 4

Abstract

Citation Formats

Energy transport and scintillation of cerium-doped elpasolite Cs 2 LiYCl 6 : Hybrid density functional calculations journal, July 2012

Generalized Gradient Approximation Made Simple journal, October 1996

Zero-dimensional Cs 4 EuX 6 (X = Br, I) all-inorganic perovskite single crystals for gamma-ray spectroscopy journal, January 2018

New Family of Cerium Halide Based Materials: CeX 3 ·ROH Compounds Containing Planes, Chains, and Tetradecanuclear Rings journal, September 2012

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

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set journal, July 1996

A One-Dimensional Organic Lead Chloride Hybrid with Excitation-Dependent Broadband Emissions journal, May 2018

Predicting Band Gaps with Hybrid Density Functionals journal, October 2016

Polarization of the x-ray-induced blue luminescence in quartz journal, August 1986

Potential-energy surfaces for excited states in extended systems journal, March 2004

Improvement of the growth of Li4SiO4 single crystals for neutron detection and their scintillation and luminescence properties journal, January 2017

Unraveling luminescence mechanisms in zero-dimensional halide perovskites journal, January 2018

Dual behavior of excess electrons in rutile TiO 2 journal, January 2013

Dimensional Reduction: A Practical Formalism for Manipulating Solid Structures journal, April 2001

Lead-Free Highly Efficient Blue-Emitting Cs 3 Cu 2 I 5 with 0D Electronic Structure journal, September 2018

Stability Issues on Perovskite Solar Cells journal, November 2015

Facile Preparation of Light Emitting Organic Metal Halide Crystals with Near-Unity Quantum Efficiency journal, March 2018

Vacancies and small polarons in SrTiO 3 journal, August 2014

Crystal Structure Refinement of Li4TiO4 Containing Tetrahedrally Coordinated Ti4+ and Tetragonally Packed Oxide Ions journal, September 1994

Organic–Inorganic Perovskites: Structural Versatility for Functional Materials Design journal, March 2016

Low-Dimensional Organometal Halide Perovskites journal, November 2017

Synthesis, Crystal and Electronic Structures, and Optical Properties of (CH 3 NH 3 ) 2 CdX 4 (X = Cl, Br, I) journal, November 2017

From ultrasoft pseudopotentials to the projector augmented-wave method journal, January 1999

Density-functional theory beyond the Hohenberg-Kohn theorem journal, May 1999

Impurity-bound small polarons in ZnO: Hybrid density functional calculations journal, September 2009

Discrete Electronic Bands in Semiconductors and Insulators: Potential High-Light-Yield Scintillators journal, May 2015

Luminescent zero-dimensional organic metal halide hybrids with near-unity quantum efficiency journal, January 2018

A Zero-Dimensional Organic Seesaw-Shaped Tin Bromide with Highly Efficient Strongly Stokes-Shifted Deep-Red Emission journal, December 2017

Small hole polarons in rare-earth titanates journal, June 2015

Photoluminescent Materials for Solid-State Lighting: State of the Art and Future Challenges journal, January 2015

Assessment of correction methods for the band-gap problem and for finite-size effects in supercell defect calculations: Case studies for ZnO and GaAs journal, December 2008

The density functional formalism, its applications and prospects journal, July 1989

Low dimensional metal halide perovskites and hybrids journal, July 2019

Impact of metal n s 2 lone pair on luminescence quantum efficiency in low-dimensional halide perovskites journal, March 2019

Neutron scattering lengths and cross sections journal, January 1992

White-Light Emission from Layered Halide Perovskites journal, February 2018

Dimensional Reduction: A Design Tool for New Radiation Detection Materials journal, August 2011

Highly Emissive Self-Trapped Excitons in Fully Inorganic Zero-Dimensional Tin Halides journal, July 2018

Review: Down Conversion Materials for Solid-State Lighting journal, April 2014

Rationale for mixing exact exchange with density functional approximations journal, December 1996

Near-Unity Photoluminescence Quantum Yield in Blue-Emitting Cs 3 Cu 2 Br 5– x I x (0 ≤ x ≤ 5) journal, February 2019

Single-crystal CeCl3(CH3OH)4: A new metal-organic cerium chloride methanol adduct for scintillator applications journal, December 2008

Atomistic Mechanism of Broadband Emission in Metal Halide Perovskites journal, January 2019

A Zero-Dimensional Organic Seesaw-Shaped Tin Bromide with Highly Efficient Strongly Stokes-Shifted Deep-Red Emission journal, December 2017

Highly Emissive Self-Trapped Excitons in Fully Inorganic Zero-Dimensional Tin Halides journal, July 2018

Electronic shell structures, self-trapped excitons, and defect-bound excitons in Li 2 B 12 H 12 journal, January 2019

Title: Zero-dimensional metal oxide Li ₄TiO ₄

Energy transport and scintillation of cerium-doped elpasolite Cs $_{2}$ LiYCl $_{6}$ : Hybrid density functional calculations
journal, July 2012

Generalized Gradient Approximation Made Simple
journal, October 1996

Zero-dimensional Cs ₄ EuX ₆ (X = Br, I) all-inorganic perovskite single crystals for gamma-ray spectroscopy
journal, January 2018

New Family of Cerium Halide Based Materials: CeX ₃ ·ROH Compounds Containing Planes, Chains, and Tetradecanuclear Rings
journal, September 2012

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

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996

A One-Dimensional Organic Lead Chloride Hybrid with Excitation-Dependent Broadband Emissions
journal, May 2018

Predicting Band Gaps with Hybrid Density Functionals
journal, October 2016

Polarization of the x-ray-induced blue luminescence in quartz
journal, August 1986

Potential-energy surfaces for excited states in extended systems
journal, March 2004

Improvement of the growth of Li4SiO4 single crystals for neutron detection and their scintillation and luminescence properties
journal, January 2017

Unraveling luminescence mechanisms in zero-dimensional halide perovskites
journal, January 2018

Dual behavior of excess electrons in rutile TiO ₂
journal, January 2013

Dimensional Reduction: A Practical Formalism for Manipulating Solid Structures
journal, April 2001

Lead-Free Highly Efficient Blue-Emitting Cs ₃ Cu ₂ I ₅ with 0D Electronic Structure
journal, September 2018

Stability Issues on Perovskite Solar Cells
journal, November 2015

Facile Preparation of Light Emitting Organic Metal Halide Crystals with Near-Unity Quantum Efficiency
journal, March 2018

Vacancies and small polarons in ${SrTiO}_{3}$
journal, August 2014

Crystal Structure Refinement of Li4TiO4 Containing Tetrahedrally Coordinated Ti4+ and Tetragonally Packed Oxide Ions
journal, September 1994

Organic–Inorganic Perovskites: Structural Versatility for Functional Materials Design
journal, March 2016

Low-Dimensional Organometal Halide Perovskites
journal, November 2017

Synthesis, Crystal and Electronic Structures, and Optical Properties of (CH ₃ NH ₃ ) ₂ CdX ₄ (X = Cl, Br, I)
journal, November 2017

From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999

Density-functional theory beyond the Hohenberg-Kohn theorem
journal, May 1999

Impurity-bound small polarons in ZnO: Hybrid density functional calculations
journal, September 2009

Discrete Electronic Bands in Semiconductors and Insulators: Potential High-Light-Yield Scintillators
journal, May 2015

Luminescent zero-dimensional organic metal halide hybrids with near-unity quantum efficiency
journal, January 2018

A Zero-Dimensional Organic Seesaw-Shaped Tin Bromide with Highly Efficient Strongly Stokes-Shifted Deep-Red Emission
journal, December 2017

Small hole polarons in rare-earth titanates
journal, June 2015

Photoluminescent Materials for Solid-State Lighting: State of the Art and Future Challenges
journal, January 2015

Assessment of correction methods for the band-gap problem and for finite-size effects in supercell defect calculations: Case studies for ZnO and GaAs
journal, December 2008

The density functional formalism, its applications and prospects
journal, July 1989

Low dimensional metal halide perovskites and hybrids
journal, July 2019

Impact of metal $n s^{2}$ lone pair on luminescence quantum efficiency in low-dimensional halide perovskites
journal, March 2019

Neutron scattering lengths and cross sections
journal, January 1992

White-Light Emission from Layered Halide Perovskites
journal, February 2018

Dimensional Reduction: A Design Tool for New Radiation Detection Materials
journal, August 2011

Highly Emissive Self-Trapped Excitons in Fully Inorganic Zero-Dimensional Tin Halides
journal, July 2018

Review: Down Conversion Materials for Solid-State Lighting
journal, April 2014

Rationale for mixing exact exchange with density functional approximations
journal, December 1996

Near-Unity Photoluminescence Quantum Yield in Blue-Emitting Cs ₃ Cu ₂ Br _{5– x} I _x (0 ≤ x ≤ 5)
journal, February 2019

Single-crystal CeCl3(CH3OH)4: A new metal-organic cerium chloride methanol adduct for scintillator applications
journal, December 2008

Atomistic Mechanism of Broadband Emission in Metal Halide Perovskites
journal, January 2019

A Zero-Dimensional Organic Seesaw-Shaped Tin Bromide with Highly Efficient Strongly Stokes-Shifted Deep-Red Emission
journal, December 2017

Highly Emissive Self-Trapped Excitons in Fully Inorganic Zero-Dimensional Tin Halides
journal, July 2018

Electronic shell structures, self-trapped excitons, and defect-bound excitons in Li ₂ B ₁₂ H ₁₂
journal, January 2019