Luminescence and density functional theory (DFT) calculation of undoped nitridosilicate phosphors for light-emitting diodes

Yeh, Chiao Wen; Liu, Yun Ping; Xiao, Zhifeng; Wang, Yin Kuo; Hu, Shu Fen; Liu, Ru‐Shi

doi:10.1039/c2jm16302k

Cited by 18 publications

(11 citation statements)

References 39 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…To overcome the obstacles, it demands comprehensive understandings of the fundamental physics and developing related theoretical models, for predicting and interpreting the related synergistic effect in the luminescent composites. For instance, theoretical calculations based on first principles density functional theory (DFT) may be expanded to serve multifunctional luminescent composite systems beyond phosphors for LEDs . In conclusion, advanced composite materials based luminescent ions will become increasingly energetically efficient, miniaturized, sophisticated, reliable, eco‐friendly, and low‐cost.…”

Section: Discussionmentioning

confidence: 99%

Luminescent Ions in Advanced Composite Materials for Multifunctional Applications

Bai

Tsang

Hao

2016

Adv Funct Materials

223

136

View full text Add to dashboard Cite

Luminescent ions doped materials have been widely applied in many areas, both scientifi c research and practical fi elds. Recently, incorporating luminescent ions and advanced materials into versatile and multifunctional systems seems to be a tendency, motivated by the stimulating desires of fundamental studies and technological applications. This feature article provides a general overview of the myriad of luminescent ions-based advanced composite materials recently investigated. It is demonstrated that the improved or additional properties may be achieved via implementing a strategy of incorporating luminescent ions (lanthanide, transition and main group metal ions) into various types of materials, such as fl exible polymers, two-dimensional atomically thin layers, porous materials, and so on. We outline the design principles, synthesis and processing of various systems joined by luminescent ions doped phosphors. A number of recent works indicate that those novel composite materials allow one to conceive and develop multifunctional applications in a broad area, including optoelectronics, photonics, clean energy, biomedicine, and new types of sensors. Lastly, some challenging issues are discussed and potential directions are suggested for further developing advanced composite materials incorporated with luminescent ions.

show abstract

Section: Discussionmentioning

confidence: 99%

Luminescent Ions in Advanced Composite Materials for Multifunctional Applications

Bai

Tsang

Hao

2016

Adv Funct Materials

223

136

View full text Add to dashboard Cite

show abstract

“…Several works have already correlated experimental luminescence results and ab initio ground state calculations. [58,59] Out of that reason, we have correlatedt he evolution of the experimental 6s!6p excitatione nergies between the three title compounds using DOS plots. In af irst stage, we have analyzed earlier ab initio calculations on BiOX (X = Cl, Br, I) from the literature.…”

Section: Excitation and Biàocovalencementioning

confidence: 99%

Bonding Scheme and Optical Properties in BiM₂O₂(PO₄) (M=Cd, Mg, Zn); Experimental and Theoretical Analysis

Olchowka

Mentré

Kabbour

et al. 2017

Chemistry A European J

View full text Add to dashboard Cite

Luminescence properties of the Bi(M,M') PO (M=Mg, Zn, Cd) series have been rationalized as a function of the M element using optical spectroscopy, as well as empirical and first principles calculations. The latter yielded indirect band gaps for all compounds with energies between 2.64 and 3.62 eV, whereas luminescence measurements exhibit bright warm white emission luminescence even at room temperature assigned to Bi transitions with, for example, 22.8 % quantum yield for M=Mg. The energies of the excitation maxima are shifted with the covalent character of the Bi-O bond by inductive effects of the neighboring M-O bonds. This is discussed on the basis of empirical and electronic structure calculations. Strikingly, in all the investigated compounds, an excitation process occurring at energies higher than the band gaps is observed, which seems to be intrinsic to the s →sp electronic transitions of the Bi ions. Concerning the emission process, a direct correlation between the lone pair (LP) activity and the emission energy upon change of the lattice parameters was established governing the LP stereo-activity in the BiMg Cd PO system. As a result, the possibility for tunable optical properties appears realistic in the Bi O -MO-X O (X=P, V, As, etc.) systems taking into account the diversity of reported or novel crystal structures that can be designed using well-established rules of crystal chemistry.

show abstract

“…This characteristic is identical to the work done by Yeh et al who synthesized SrSi 6 N 8 :Eu 2+ at 1900°C for 6 h under 0.5 MPa nitrogen atmosphere. 24 The excitation spectra of the sample heated at 1980°C under 0.5 MPa N 2 atmosphere for different durations are shown in Fig. 9.…”

Section: Resultsmentioning

confidence: 99%

Formation of Sr₂Si₅N₈:Eu²⁺ and Its Transformation to SrSi₆N₈:Eu²⁺ Controlled by Temperature and Gas Pressure

Hung

Hsieh

et al. 2015

J. Am. Ceram. Soc.

View full text Add to dashboard Cite

Firing temperature and gas pressure effect of synthesizing Sr2Si5N8:Eu2+ were investigated. The emission intensity is positively correlated with the firing temperature under 0.1 and 0.5 MPa gas pressure. The Sr2Si5N8:Eu2+ with the highest emission intensity was found at 1700°C and 1980°C under 0.1 and 0.5 MPa gas pressure, respectively. Although the maximum emission intensity of Sr2Si5N8:Eu2+ obtained under 0.5 MPa gas pressure condition is higher than that under 0.1 MPa. The Sr2Si5N8:Eu2+ synthesized under 0.5 MPa gas pressure in the temperature range from 1600°C to 1800°C have lower emission intensities than that synthesized under 0.1 MPa indicating that the melting of Sr3N2 is an important step for the formation of Sr2Si5N8:Eu2+. Moreover, the Sr2Si5N8:Eu2+ undergoes phase transition into SrSi6N8:Eu2+ completely after elongating the heating duration to 6 h at 1980°C under 0.5 MPa gas pressure. The same feature was observed under 0.1 MPa gas pressure after firing 8 h at 1750°C. Different heating durations led to different degrees of phase transition.

show abstract

Luminescence and density functional theory (DFT) calculation of undoped nitridosilicate phosphors for light-emitting diodes

Cited by 18 publications

References 39 publications

Luminescent Ions in Advanced Composite Materials for Multifunctional Applications

Luminescent Ions in Advanced Composite Materials for Multifunctional Applications

Bonding Scheme and Optical Properties in BiM₂O₂(PO₄) (M=Cd, Mg, Zn); Experimental and Theoretical Analysis

Formation of Sr₂Si₅N₈:Eu²⁺ and Its Transformation to SrSi₆N₈:Eu²⁺ Controlled by Temperature and Gas Pressure

Contact Info

Product

Resources

About

Luminescence and density functional theory (DFT) calculation of undoped nitridosilicate phosphors for light-emitting diodes

Cited by 18 publications

References 39 publications

Luminescent Ions in Advanced Composite Materials for Multifunctional Applications

Luminescent Ions in Advanced Composite Materials for Multifunctional Applications

Bonding Scheme and Optical Properties in BiM2O2(PO4) (M=Cd, Mg, Zn); Experimental and Theoretical Analysis

Formation of Sr2Si5N8:Eu2+ and Its Transformation to SrSi6N8:Eu2+ Controlled by Temperature and Gas Pressure

Contact Info

Product

Resources

About

Bonding Scheme and Optical Properties in BiM₂O₂(PO₄) (M=Cd, Mg, Zn); Experimental and Theoretical Analysis

Formation of Sr₂Si₅N₈:Eu²⁺ and Its Transformation to SrSi₆N₈:Eu²⁺ Controlled by Temperature and Gas Pressure