研究獎勵

學年期 標題 更新時間
093 / 1 Mechanism for linear and nonlinear optical effects in crystals of the Sr2Be2O7 family 2011-06-09
093 / 1 Resolution of an Ancient Surface Anomaly :Work Function Change Induced by N Adsorption on W{100} 2011-06-09
096 / 1 Surface structures of atomic hydrogen adsorbed on Cu(111) surface studied by density-functional-theory calculations 2011-06-09
093 / 1 Insight into association reactions on metal surfaces : Density-functional theory studies of hydrogenation reactions on Rh(111) 2011-06-09
099 / 1 First Principles Calculations of Linear and Second-Order Optical Responses in Rhombohedrally Distorted Perovskite Ternary Halides,CsGeX3(X=CI,Br,and I) 2011-06-09
088 / 1 Pressure-induced change of the stereochemical activity of a lone electron pair 2011-06-09
098 / 1 First-principles analysis of optical absorption edge in pure and fluorine-doped SiO2 glass 2011-06-09
091 / 1 單斜波硼酸鹽晶體BiB3O6的線性及非線性光學效應機制 2011-06-09
090 / 1 2. 系及 系化合物的結構性質之平面波膺勢方法研究 2011-06-09
090 / 1 3.L:B3O5, C5B3O5,CsLiB6O10的線性與非線性光學效應的機制 2011-06-09
095 / 1 The mechanism of linear and nonlinear optical effects in fluoride crystals 2011-06-09
092 / 1 SrBe3O4晶體中線性與非線性效應的機制 2011-06-09
092 / 1 單壁碳管功函數之維度與吸附效應的第一原理計算 2011-06-09
097 / 1 Influence of vacancy defect density on electrical properties of armchair single wall carbon nanotube 2011-06-09
089 / 1 Mechanism for linear and nonlinear optical effects in β-BaB2O4 crystals 2011-06-09
096 / 1 Band-gap modification of defective carbon nanotubes under a transverse electric field 2011-06-09
090 / 1 1.以密度泛函理論研究在PH(III)上之化學吸附分子CO 及S 的交互作用 2011-06-09
094 / 1 Dependence of workfunction on the geometries of single-walled carbon nanotubes 2011-06-09
095 / 1 New infrared nonlinear optical crystal CsGeBr3 :Synthesis, structure and powder second-harmonic generation properties 2011-06-09
095 / 1 Band gap modification of single-walled carbon nanotube and boron nitride nanotube under a transverse electric field 2011-06-09
096 / 1 Electro-optical modulation for a boron nitride nanotube probed by first-principles calculations 2011-06-09
093 / 1 Cation substitution effects on structural, electronic and optical properties of nonlinear optical AgGa(SxSe1-x)2 crystals 2011-06-09
094 / 1 Band-resolved analysis of nonlinear optical properties of crystalline and molecular materials 2011-06-09
095 / 1 The prospect of beryllium-oxygen group to search for new nonlinear optical crystals 2011-06-09
095 / 1 Ab initio study of the hygroscopic properties of borate crystals 2011-06-09
091 / 1 斜方三元氮化物晶體之結構與光學特性的第一原理研究 2011-06-09
091 / 1 在Cu3Pt(111)合金表面上一氧化碳氧化作用的密度泛函研究:與在Pt(111)及Cu(111)上之反應的比較 2011-06-09
092 / 1 KDP及尿素晶體之線性與非線性光學效應的機制 2011-06-09
099 / 1 Characterization of Vacancy Defect Interaction on the Electric Properties of Zigzag Single-Walled Carbon Nanotubes 2011-06-09
092 / 1 KBc2Bo3F2(KBBF)晶體中線性與非線性光學效應之機制 2011-06-09
097 / 1 First-principles analysis of the optical properties of structural disorder in SiO2 glass 2011-06-09
097 / 1 Au on (111) and (110) surfaces of CeO2: A density-functional theory study 2011-06-09
100 / 1 Eliminating ultraviolet optical absorption through Fe-impurity engineering: Ab initio study of the nonlinear optical crystal K2Al2B2O7 2012-10-23
100 / 1 Influencing range of vacancy defects in zigzag single-walled carbon nanotubes 2012-10-23
101 / 1 Europium location in the AlN: Eu green phosphor prepared by a gas-reduction-nitridation route 2013-05-15
101 / 1 Ab initio studies on the mechanism for linear and nonlinear optical effects in YAl3(BO3)4 2013-05-15
102 / 1 Electronic band structures of Ge1−xSnx semiconductors: A first-principles density functional theory study 2014-07-16
103 / 1 First-principles materials applications and design of nonlinear optical crystals 2015-03-13
103 / 1 Experimental and Theoretical Studies on the Linear and Nonlinear Optical Properties of Bi2ZnOB2O6 2015-03-13
103 / 1 First-principle Studies on Enhanced Optical Stability of BaMgAl10O17:Eu2+ Phosphor by SiN Doping 2015-03-13
103 / 1 Effects of intrinsic defects on electronic structure and optical properties of Ga-doped ZnO 2015-03-13
103 / 1 Contribution of cations to the photoluminescence properties of Eu-doped barium oxonitridosilicates phosphors 2015-03-13
103 / 1 p–(p,π*) interaction mechanism revealing and accordingly designed new member in deep-ultraviolet NLO borates LinMn−1B2n−1O4n−2 (M = Cs/Rb, n = 3, 4, 6) 2015-03-13
104 / 1 Layered B-site cation ordering: A key factor in ferrimagnetism of Y2MnCrO6 2016-09-03
104 / 1 Evidence of “new hot spots” from determining the nonlinear optical behavior of materials: mechanistic studies of the vanadium borate crystal, Na 3 VO 2 B 6 O 11 2016-09-03
104 / 1 The Influence of Hydrogen Bonding on the Nonlinear Optical Properties of a Semiorganic Material NH4B[D-(+)-C4H4O5]2‧H2O: A Theoretical Perspective 2016-09-03
104 / 1 First-principles materials applications and design of nonlinear optical crystals 2016-09-03
104 / 1 Role of Oxygen Vacancy on the Photoluminescence of BaMgSiO4:Eu Phosphors: Experimental and Theoretical Analysis 2016-09-03
104 / 1 Simulated pressure-induced blue-shift of phase-matching region and nonlinear optical mechanism for K3B6O10X (X=Cl, Br) 2016-09-03
105 / 1 Active performance of tetrahedral groups to SHG response: theoretical interpretations of Ge/Si-containing borate crystals 2017-05-18
105 / 1 Modification of the coordination environment of Eu2+ in Sr2SiO4:Eu2+ phosphors to achieve full color emission 2017-05-18
105 / 1 Influence of N-anion-doping on the production and the photoluminescence properties of γ-Ca2SiO4:Ce3+ phosphors and the β → γ phase transformation 2017-05-18
105 / 1 Intriguing luminescence properties of (Ba, Sr)3Si6O9N4: Eu2+ phosphors via modifying synthesis method and cation substitution 2017-05-18
105 / 1 Wavelength-dependent optical transition mechanisms for light-harvesting of perovskite MAPbI3 solar cells using first-principles calculations 2017-05-18
105 / 1 Development of nonlinear optical materials promoted by density functional theory simulations 2017-05-18
105 / 1 The mechanism for the nonlinear optical properties in La9Na3B8O27, La2Na3B3O9 and La2CaB10O19: ab initio studies 2017-05-18
106 / 1 DFT Based Theoretical Study about the Contributions of Fluorine to Nonlinear Optical Properties in Borate Fluoride Crystals 2018-07-26
106 / 1 Insight the Luminescence Properties of AlON: Eu, Mg Phosphor under VUV Excitation 2018-07-26
106 / 1 Molecular Construction Using (C3N3O3)3 - Anions: Analysis and Prospect for Inorganic Metal Cyanurates Nonlinear Optical Materials 2018-07-26
106 / 1 First-Principles Assisted Prediction of the Nonlinear Optical Behavior of Mg3B7O13Cl Crystal 2018-07-26
107 / 1 Insight into the evolution mechanism of carbon film and Eu valence in carbon coated BaMgAl10O17: Eu2+ phosphor annealed in air 2019-02-20
107 / 1 DFT-Based Comparative Study about the Influence of Fluorine and Hydroxyl Anions on Opto-Electric Properties of Borate Crystals:Choice for Better Anion 2019-02-20
107 / 1 DFT plus U study on the electronic structures and optical properties of pyrite and marcasite 2019-02-20
107 / 1 ALiZnP(2)O(7) (A = Rb, Cs): Two Mixed Alkali Zinc Pyrophosphates Featuring a [Li2Zn2P4O20](14-) Anionic Skeleton 2019-02-20
107 / 1 Water effect on band alignment of GaP: A theoretical insight into pyridinium catalyzed CO2 reduction 2019-02-20
107 / 1 Luminescent properties and microstructure of SiC doped AlON: Eu2+ phosphors 2019-02-20
108 / 1 Experimental and DFT insights of the Zn-doping effects on the visible-light photocatalytic water splitting and dye decomposition over Zn-doped BiOBr photocatalysts 2020-04-15
108 / 1 BaV2O6‧H2O: A nonlinear optical crystal with a large bandgap 2020-04-15
108 / 1 Cation substitution inducing gap changes and covalent interaction flexibility enhancing second harmonic generation responses in d(10) metal chalcogenides 2020-04-15
108 / 1 Comparative Study on Surface Structure, Electronic Properties of Sulfide and Oxide Minerals: A First-Principles Perspective 2020-04-15
108 / 1 The linear and nonlinear optical response of CsGeX3 (X=Cl, Br, and I): The finite field and first-principles investigation 2020-04-15
108 / 1 Metal-cation substitutions induced the enhancement of second harmonic generation in A(8)BS(6) (A = Cu, and Ag; B = Si, Ge, and Sn) 2020-04-15
108 / 1 Size effect and identified superior functional units enhancing second harmonic generation responses on the II-IV-V-2 type nonlinear optical crystals 2020-04-15
108 / 1 Non-centrosymmetric BaNaP3O9 with a short deep-ultraviolet cutoff edge 2020-04-15
108 / 1 A New Cadmium-Based Pb2Cd3(PO4)(2)(P2O7) with Two Types of Isolated P-O Groups 2020-04-15
108 / 1 Hierarchy in nonlinear optical responses induced by metal cation tailoring effect in the In-containing chalcogenide compounds 2020-04-15
110 / 1 Effects of P2O7 clusters arrangement on second harmonic generation responses of pyrophosphates 2021-12-15
110 / 1 Tellurium-oxygen group enhanced birefringence in tellurium phosphates: a first-principles investigation 2021-12-15
110 / 1 Different mechanism of response of asymmetric lone pair electrons around ns2 cations to birefringence and second harmonic generation 2021-12-15
110 / 1 First-Principles High-Throughput Screening Pipeline for Nonlinear Optical Materials: Application to Borates 2021-12-15
110 / 1 A2BBi2(PO4)2(P2O7) (A = K, Rb, B = Pb, Cd): the Effect of Cation Sizes on Structural Evolution 2021-12-15
110 / 1 Finding Optimal Mid-Infrared Nonlinear Optical Materials in Germanates by First-Principles High-Throughput Screening and Experimental Verification 2021-12-15
110 / 1 Two Pyrophosphates with Large Birefringences and Second-Harmonic Responses as Ultraviolet Nonlinear Optical Materials 2021-12-15
110 / 1 A3BBi(P2O7)2 (A = Rb, Cs; B = Pb, Ba): Isovalent Cation Substitution to Sustain Large Second-Harmonic Generation Responses 2021-12-15
110 / 1 Synthesis of G-La2Si2O7:Eu2+ phosphors by addition of AlF3: Experimental and theoretical analysis 2021-12-15
110 / 1 One-Dimensional Double Chains in Sodium-Based Quaternary Chalcogenides Displaying Intriguing Red Emission and Large Optical Anisotropy 2021-12-15
110 / 1 From silicates to oxonitridosilicates: improving optical anisotropy for phase-matching as ultraviolet nonlinear optical materials 2021-12-15
110 / 1 Infrared Nonlinear Optical Polymorphs α- and β-SrCu2SnS4 Exhibiting Large Second Harmonic Generation Responses with Requisite Phase-Matching Behavior 2021-12-15
111 / 1 Different mechanism of stereochemical activity and birefringence in post-transition metal halides:A first-principles investigation 2023-11-29
111 / 1 Excitonic effect in black phosphorus oxides 2023-11-29
111 / 1 Photoelectric properties of Sr2MgSi2O7: Eu2+ phosphors produced by co-precipitation method 2023-11-29
111 / 1 K8Cd21Pb7(P2O7)16 and KCd2P3O10: Two new phosphates featuring special structure configurations 2023-11-29
111 / 1 Distinctive modulation of optical anisotropy by halogens in alpha/beta-Cd-P-X (X = Cl, Br, and I) 2023-11-29
112 / 1 Two Metal Phosphate Nonlinear Optical Materials Simultaneously Exhibiting Ultraviolet Transparence and a Large Birefringence 2024-01-06
112 / 1 First-principles study of the influence of lone pair electrons and molecular groups on the birefringence of phosphate and fluorophosphate 2024-01-06
112 / 1 Exploring the Stability of Single-Atom Catalysts Using the Density Functional Theory-Based Global Optimization Method: H2 Formation on VOx/γ-Al2O3(100) 2024-01-06
112 / 1 Growth, Structure, and Optical Properties of a Nonlinear Optical Niobium Borate Crystal CsNbOB2O5 with Distorted NbO5 Square Pyramids 2024-01-06
112 / 1 A first-principle investigate about the different response of birefringence and SHG from AB(3)O(6) (A = Bi, Sb) compounds 2024-01-06
112 / 1 Bridging oxygen atoms in trigonal prism units driven strong second-harmonic-generation efficiency in Sr3Ge2O4Te3 2024-01-06
112 / 1 Finding the First Squarates Nonlinear OpticalCrystal NaHC4O4 center dot H2O with Strong SecondHarmonic Generation and Giant Birefringence 2024-01-06
112 / 1 A Theoretical Perspective to Study the Optical Properties of Tetrafluoroborates 2024-01-06
112 / 1 Enhanced solar-driven hydrogen evolution over ultrathin g-C3N4/ReSe2 heterojunction-like nanosheets with surface selenium vacancies 2024-01-06
112 / 1 First-Principles Investigation About Different Sequence of Stereochemical Activity and Birefringence in Antimony Halides 2024-01-06