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RESEARCH PAPER · Chemistry of Materials · 2019

Data-Driven Discovery of Full-Visible-Spectrum Phosphor

Shuxing Li, Yonghui Xia, Mahdi Amachraa, Nguyen Tuan Hung, Zhenbin Wang, Shyue Ping Ong, Rong‐Jun Xie

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Data-Driven Discovery of Full-Visible-Spectrum PhosphorOriginalNotizen aus der Chemie0Virtual Issue on Machine-Learning Discoveries in Materials Science29Critical Review—Data-Driven Discovery of Novel Phosphors25High-throughput DFT screening enables the discovery of a super-broadband white-emitting phosphor for high-CRI white LEDs8Synthesis, Crystal Structure, and Luminescence Properties of a White-Light-Emitting Nitride Phosphor, Ca0.99Eu0.01AlSi4N75Ultra-broadband cyan-to-orange emitting Ba 1+x Sr 1−x Ga 4 O 8 :Bi 3+ phosphors: luminescence control and optical temperature sensing95Achieving high thermal stability of different rare-earth ions in a single matrix host via the manipulation of the local structure by a solid solution13Constructing a single-white-light emission by finely modulating the occupancy of luminescence centers in europium-doped (Ca 1−x Sr x ) 9 Bi(PO 4 ) 7 for WLEDs28Discovery of a Ce 3+ -activated red nitride phosphor for high-brightness solid-state lighting39Full-visible-spectrum lighting enabled by an excellent cyan-emitting garnet phosphor284Realizing red/orange emission of Eu 2+ /Ce 3+ in La 26−x Sr x Si 41 O x+1 N 80−x ( x = 12.72–12.90) phosphors for high color rendition white LEDs19Recent progress on discovery of novel phosphors for solid state lighting88Enhanced quantum efficiency and thermal stability in tunable yellow-emitting Sr Ca1-AlSiN3:Ce3+ phosphor15Site-selective occupation of Eu2+ activators toward full-visible-spectrum emission in well-designed borophosphate phosphors96Quantum Chemistry-Informed Active Learning to Accelerate the Design and Discovery of Sustainable Energy Storage Materials88Recent Advances in Bismuth Ion‐Doped Phosphor Materials: Structure Design, Tunable Photoluminescence Properties, and Application in White LEDs363Site occupation and energy transfer of Ce3+-Activated oxynitride Lu4SiAlO8N with broad-cyan-light-emitting property used for WLEDs5Narrow-band emitters in LED backlights for liquid-crystal displays217Upconversion Red Emission and Near-Infrared Quantum-Cutting Persistent Luminescence of Nd3+-Activated Ca2SnO4 Induced by Yb3+15Atomistic Perspective on the Intrinsic White-Light Photoluminescence of Rare-Earth Free MgMoO4 Nanoparticles22Two‐Step Sol–Gel Synthetic Strategy for Highly Dispersed Eu2+ Luminescence Centers for Tuning Emission5Hetero-valent substitution strategy toward orange-red luminescence in Bi3+ doped layered perovskite oxide phosphors for high color rendering index white light-emitting diodes105A data-driven approach to predicting band gap, excitation, and emission energies for Eu 2+ -activated phosphors28Broadband white luminescent phosphor Ba(Si 7−x Al x )Li y (N 10−x+y O x−y ):Eu 2+ with a high color rendering index for solid state lighting9Complex crystal structure and photoluminescence of Bi 3+ -doped and Bi 3+ /Eu 3+ co-doped Ca 7 Mg 2 Ga 6 O 1819Photoluminescence and energy transfer of efficient and thermally stable white-emitting Ca9La(PO4)7:Ce3+, Tb3+, Mn2+ phosphors26Bright red luminescence from Mn4+ ions doped Sr2LuTaO6 double-perovskite phosphors43Opportunities for Next-Generation Luminescent Materials through Artificial Intelligence85Promises and perils of computational materials databases43Ternary sulfides ALnS2:Eu2+ (A = Alkaline Metal, Ln = rare-earth element) for lighting: Correlation between the host structure and Eu2+ emission maxima18Screening and discovery of phosphors by the single-particle-diagnosis approach6Desired warm white light emission from a highly photostable and single-component Gd2TiO5:Dy3+/Eu3+ nanophosphors for indoor illuminations20Bi3+ occupancy rearrangement in K2-xAxMgGeO4 phosphor to achieve ultra-broad-band white emission based on alkali metal substitution engineering38Tailoring of White Luminescence in a NaLi 3 SiO 4 :Eu 2+ Phosphor Containing Broad‐Band Defect‐Induced Charge‐Transfer Emission183Cyan Broad-Band Emission Phosphor with Scandium Silicon Multiple-Ring Structure for White Light-Emitting Diodes and Field Emission Displays49Site occupancy and photoluminescence properties of cyan-emitting K2Ca2Si2O7:Bi3+ phosphor for white light emitting diodes44Bismuth activated blue phosphor with high absorption efficiency for white LEDs55Advances in Near-Infrared Luminescent Materials without Cr3+: Crystal Structure Design, Luminescence Properties, and Applications171Study on energy transfer in Ce3+/Sm3+ activated LaSi3N5 phosphor for warm white-light LED13Applied Machine Learning for Developing Next‐Generation Functional Materials72Machine learning (ML) as a tool for phosphor design: A perspective14Discovery of Energy Storage Molecular Materials Using Quantum Chemistry-Guided Multiobjective Bayesian Optimization67An Extra‐Broadband VIS‐NIR Emitting Phosphor toward Multifunctional LED Applications153Multifunctional Ca9NaZn1-Mg (PO4)7:Eu2+ phosphor for full-spectrum lighting, optical thermometry and pressure sensor applications112Spectral Design of Phosphor-Converted LED Lighting Guided by Color Theory26Unveiling White Light Emission of a One-Dimensional Cu(I)-Based Organometallic Halide toward Single-Phase Light-Emitting Diode Applications39(INVITED)Broadband emission of Lu2SrAl4SiO12:Eu2+ phosphor for full-spectrum lighting6(INVITED)Narrow-band violet and blue emission of Bi3+ in M10P6O25 (M = Ca, Sr) based on highly symmetric crystal structure10Local environment rigidity and the evolution of optical properties in the green-emitting phosphor Ba 1− x Sr x ScO 2 F:Eu 2+12NUV-pumped red-emitting Ca 9 MnK(PO 4 ) 7 phosphor: energy transfer and charge compensation3Tunable concentration/excitation-dependent deep-red and white light emission in single-phase Eu 2+ -activated Sc-based oxide phosphors for blue/UV-LEDs32Tunable emission of Li 4 SrCaSi 2 O 4− y N 2 y / 3 :Eu 2+ phosphors based on anion substitution induction for WLEDs and optical thermometry12Highly Efficient Broad-Band Green-Emitting Cerium(III)-Activated Garnet Phosphor Allows the Fabrication of Blue-Chip-Based Warm-White LED Device with a Superior Color Rendering Index69Efficient near-infrared phosphors discovered by parametrizing the Eu(II) 5d-to-4f energy gap92Challenges and Strategies to Design Phosphors for Future White Light Emitting Diodes104Elevating photoluminescence properties of Y3MgAl3SiO12:Ce3+ transparent ceramics for high-power white lighting34Computation-Aided Discovery and Synthesis of 2D PrOBr Photocatalyst15Luminescence Enhancement of Red‐Emitting Sr9MnK(PO4)7 Phosphor via Energy Transfer and Charge Compensation3Novel green-emitting phosphor Na2CaGe6O14: Tb3+ with high thermal stability by assistant of carriers from traps0A Zero-Thermal-Quenching Blue Phosphor for Sustainable and Human-Centric WLED Lighting130Improved thermal stability of the red-emitting Gd3+ - Modulated La2LiSbO6:Eu3+ phosphors for WLED10Design of K2SrCa(PO4)2-x(BO3)x:Eu2+ phosphors with full-visible spectrum by crystal structure modification12Calibrating DFT Formation Enthalpy Calculations by Multifidelity Machine Learning43Monodisperse CaAl12O19:Mn4+ microspheres for full-spectrum white LEDs8Laser Phosphors for Next-Generation Lighting Applications152Rapid discovery of new Eu 2+ -activated phosphors with a designed luminescence color using a data-driven approach15Tuning the thermal quenching properties of Ga3+-modified LiTaO3:Bi3+ phosphor through defect engineering strategy12Achieving efficient violet-light-excited blue phosphors by nitridation for violet-chip-based full-spectrum lighting47Ba 3 LuGa 2 O 7.5 :Bi 3+ phosphors with potential application in full-spectrum WLEDs and temperature sensing73Non-rare-earth-doped submicron-grade narrow-band red phosphors for W-LED as well as FED and enhanced Bi 3+ -doped blue light absorption32Recent progress in phosphor technology1Apatite oxynitride phosphor (Mg,Y)5Si3(O,N)13:Ce 3+ ,Mn 2+ : A single‐phased host with solar‐like and efficient emission5Broadband orange-emitting Sr 3Si 8O 4N 10:Eu 2+ phosphor discovered by a modified single-particle-diagnosis approach18Microwave-assisted synthesis and thermally stable red fluorescence of Ba3(ZnB5O10)PO4:Eu3+ solid solution4Single White-Emitting Phosphor (Ba,Sr,Ce)4–mLi(Si,Al)19+2m(O,N)29+m for White LEDs12Broadband Emission Origin in Metal Halide Perovskites: Are Self‐Trapped Excitons or Ions?198Enhancement of broad-spectrum orange emission and thermal stability in Rb2-xCsxCaP2O7:0.015Eu2+ phosphors by improving local structural symmetry6Adjustment of Bi 3+ Luminescence and Thermal Quenching Properties by B′-Site Ion Substitution Strategy in Double Perovskite CaLaMgSb/TaO 6 :Bi 3+ Phosphor33Enhancing External Quantum Efficiency of Blue-Emitting Phosphor Ba(K)-β-Al2O3:Eu2+ by Lattice Site Engineering for Full-Spectrum Lighting40Thiogallate phosphor for white LEDs with water-resistance and green light-emitting capability7Luminescence performance of bismuth activated Ba3Lu2B6O15 phosphors8Advances in data‐assisted high‐throughput computations for material design111Curated materials data of hybrid perovskites: approaches and potential usage3Broadband emission characteristics and WLED application of self-activated YMZn3AlO7 (M=Ca, Sr, Ba) phosphors5A guide to comprehensive phosphor discovery for solid-state lighting245Photoluminescence properties of Sb3+-activated Ca2YTaO6 dual color emitting phosphors for plant growth LEDs applications11Narrow-band cyan and green dual-peak emission Rb2KNa(Li3SiO4)4: Eu2+ phosphor for full-spectrum w-LED: Synthesis, structure, and spectrum regulation9Overcoming the cyan gap for full‐spectrum lighting using cation‐substitution‐induced rigid Ca 2 YZr 2 Al 3 O 12 :Ce 3+9Photoluminescence Properties of CsZn2B3O7:Eu2+ Broadband Green-emitting Phosphor for White Light-emitting Diodes2Prediction of metastable energy level distribution of D 3+ (D = Cr and Fe) doped phosphors based on machine learning2Strategies to fabricate full spectrum responsive photocatalysts0Unravelling the white light emission in a single-phase new stoichiometric vanadate phosphor synthesized by rapid low-temperature one-pot synthesis and its W-LED prototype with high CRI and luminous efficacy13A Giant Stokes Shift in Wide‐Band Red Phosphor [Ca0.33(Sr1‐xBax)0.67]7(SiO3)6Cl2: Eu2+13Phase tailoring and color-tunable luminescence of LaNbO4:Tb3+,Eu3+ nanophosphors for deep UV-pumped pc-WLEDs application9Suppressing Self‐Oxidation of Eu 2+ in Li 2 CaSiO 4 for Full‐Spectrum Lighting and Accurate Temperature Sensing65Achieving Ultra‐Broadband Sunlight‐Like Emission in Single‐Phase Phosphors: The Interplay of Structure and Luminescence44Acid Post-Treatment Triggered High-Efficiency Blue-Emitting LiNa2Sr8B12O24F6Cl:Eu2+ Phosphors toward Multipurpose LED Applications0Rare-metal-free broadband near-infrared phosphors1In Situ Fabrication of Multi‐Site Contacted Perovskite/Organic Hybrid Color Converter for Indoor Lighting and Light Communication10Absolutely Structural Disorder Boosting Bandwidth toward Full‐Spectrum White Light from Single Occupancy of Activator36Exploring new useful phosphors by combining experiments with machine learning10Recent progress on bismuth-based materials for full-spectrum-driven photocatalysis14Accelerating Materials Discovery of Novel Europium(II)-Activated Phosphors through Machine Learning Classification of Europium Valences11Dual-emission ultra-wideband phosphor applied to yellow light LED and temperature visualization5Highly Humidity-Resistant Oxynitride Phosphor BaSi6N8O:Ce3+ for pc-LEDs6Crystallographic site engineering of a single Bi 3+ -doped single-component Ca 5 Ga 6 O 14 :Bi 3+ phosphor for full-spectrum white light emission and highly sensitive optical thermometry10Unlocking dual Mn 3+ /Mn 4+ emissions in garnet phosphors for WLED and plant growth lighting applications15Well-designed sunlight-like Bi 3+ -activated white-light phosphor for general lighting6Two-step model for predicting 4f→5d transition energies of Ce3+ in garnet-type oxides based on first-principles calculations and machine learning8Blue/blue–violet‐emitting phosphate phosphors for full‐spectrum white light‐emitting diodes8Ca9-zMzCsLu0.667(PO4)7:Eu2+ (M = Mg2+, Sr2+): β-Ca3(PO4)2-based LED phosphors with improved thermal stability and standard white light3Synthesis and multi-color emission properties of novel Na3KMg7(PO4)6: RE3+ (RE = Eu, Dy, Tb) phosphor for white LED and indoor plant growth7Single‐Grain High‐Efficiency Full‐Visible‐Spectrum White Emitters17Tailoring of Blue‐Cyan Luminescence in Rb 3 Y[(P 1‐ x Si x )O 4 ] 2 :Eu 2+ Phosphor via Si 4+ ‐P 5+ Heterovalent Substitution for Full‐Spectrum Healthy Lighting25Single‐Grain High‐Efficiency Full‐Visible‐Spectrum White Emitters3Mixed‐Phase and Solid‐Solution in Single Particles Yielding Better Phosphors6Accelerated data-driven materials science with the Materials Project296Machine learning-driven discovery of efficient narrow-band green phosphor for wide-color-gamut backlight displays9A review of recent advances in Ce3+-activated garnet phosphors for blue-chip-pumped pc-WLEDs81Luminescence properties of multi-site Eu2+ emission in Ca9MgNa(PO4)7 phosphors with cation substitution5Machine learning prediction and efficient screening method for thermally induced fluorescence enhancement of Er 3+ doped materials5Data-Driven Advances in Rare-Earth Substituted Inorganic Phosphors for Solid-State Lighting and Display Applications: A 6G Perspective0High-efficiency full-spectrum emitters realized through structural evolution0Highly thermally stable Ce 3+ /Tb 3+ -activated Ba 2 MgY 2 (BO 3 ) 4 phosphors prepared by a one-step reductive solid-state reaction0Theoretical advances in resonance Raman spectroscopy of solids1Emission spectrum Matched-degree approaching 99.4 % sunlight-like full-spectrum white-light phosphors3Strategic Incorporation of Cu 2+ in RbPb 2 Br 5 : Employing p-d* Antibonding States for Superior Self-Trapped Excitonic Emission1Anionic Condensation-Guided Synthesis of LaSi2N3O: A “Missing” Structure in the Ln–Si–N–O Series of Oxonitridosilicate Phosphor Materials0Data-Driven Discovery of Ce 3+ -Activated Phosphors with Target Excitation Energies for Solid-State Lighting2Machine learning prediction of luminescence concentration quenching of Tb3+-doped inorganic phosphors0Realization of blue-red dual-emission via energy transfer in Ca9ZnK(PO4)7: Eu2 +, Mn2+ phosphors for plant cultivation and warm white illumination0Revealing Anti‐Thermal Quenching Broadband Cyan‐Green Emission in Oxonitridoaluminosilicate Phosphors Induced by Anion Ordering Substitution0From Phosphor Ceramics to Intelligent Light‐Conversion Materials: High‐Flux Luminescence, Glassy Composite Interface, and Machine‐Learning‐Guided Design0

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  4. High-throughput DFT screening enables the discovery of a super-broadband white-emitting phosphor for high-CRI white LEDs

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  5. Synthesis, Crystal Structure, and Luminescence Properties of a White-Light-Emitting Nitride Phosphor, Ca0.99Eu0.01AlSi4N7

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  14. Site-selective occupation of Eu2+ activators toward full-visible-spectrum emission in well-designed borophosphate phosphors

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  32. Desired warm white light emission from a highly photostable and single-component Gd2TiO5:Dy3+/Eu3+ nanophosphors for indoor illuminations

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  33. Bi3+ occupancy rearrangement in K2-xAxMgGeO4 phosphor to achieve ultra-broad-band white emission based on alkali metal substitution engineering

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  34. Tailoring of White Luminescence in a NaLi 3 SiO 4 :Eu 2+ Phosphor Containing Broad‐Band Defect‐Induced Charge‐Transfer Emission

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  35. Cyan Broad-Band Emission Phosphor with Scandium Silicon Multiple-Ring Structure for White Light-Emitting Diodes and Field Emission Displays

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  36. Site occupancy and photoluminescence properties of cyan-emitting K2Ca2Si2O7:Bi3+ phosphor for white light emitting diodes

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  37. Bismuth activated blue phosphor with high absorption efficiency for white LEDs

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  38. Advances in Near-Infrared Luminescent Materials without Cr3+: Crystal Structure Design, Luminescence Properties, and Applications

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  39. Study on energy transfer in Ce3+/Sm3+ activated LaSi3N5 phosphor for warm white-light LED

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  41. Machine learning (ML) as a tool for phosphor design: A perspective

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  42. Discovery of Energy Storage Molecular Materials Using Quantum Chemistry-Guided Multiobjective Bayesian Optimization

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  43. An Extra‐Broadband VIS‐NIR Emitting Phosphor toward Multifunctional LED Applications

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  44. Multifunctional Ca9NaZn1-Mg (PO4)7:Eu2+ phosphor for full-spectrum lighting, optical thermometry and pressure sensor applications

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  45. Spectral Design of Phosphor-Converted LED Lighting Guided by Color Theory

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  46. Unveiling White Light Emission of a One-Dimensional Cu(I)-Based Organometallic Halide toward Single-Phase Light-Emitting Diode Applications

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  47. (INVITED)Broadband emission of Lu2SrAl4SiO12:Eu2+ phosphor for full-spectrum lighting

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