Wenhao Xing

Publications28
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Citations174
Highly Influential Citations0
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Two Mixed-Anion Units of [GeOSe3] and [GeO3S] Originating from Partial Isovalent Anion Substitution and Inducing Moderate Second Harmonic Generation Response and Large Birefringence.
TLDR
Theoretical calculations revealed the crucial effects of mixed-anion [GeOSe3] and [GeO3S] units on the moderate second harmonic generation response and large birefringence, which will guide the exploration of new functional oxychalcogenides.
Two rare-earth-based quaternary chalcogenides EuCdGeQ4 (Q = S, Se) with strong second-harmonic generation.
TLDR
Two new rare-earth-based chalcogenides EuCdGeQ4 (Q = S, Se) have been designed and constructed by using Eu2+ and the classical NLO-active SBUs of [CdQ4] and [ GeQ4], which melt congruently at relatively low temperatures and are suitable for bulk crystal growth by the Bridgman method.
AHgSnQ4 (A = Sr, Ba; Q = S, Se): A Series of Hg-Based Infrared Nonlinear-Optical Materials with Strong Second-Harmonic-Generation Response and Good Phase Matchability.
TLDR
All four Hg-based IR nonlinear-optical materials show phase-matching behavior, and the results of first-principles calculation elucidate the key role of the HgQ4 group in the enhanced SHG effect in β-BaHgSnS4 and BaHg SnSe4.
EuHgGeSe4 and EuHgSnS4: Two Quaternary Eu-Based Infrared Nonlinear Optical Materials with Strong Second-Harmonic-Generation Responses.
TLDR
Structural analysis and theoretical calculations verify the critical driving effects of [HgQ4]6- tetrahedra on the strong SHG activity and demonstrate that EuHgGeSe4 and EuhgSnS4 are potential IR NLO materials.
Molecular Construction from AgGaS2 to CuZnPS4: Defect-Induced Second Harmonic Generation Enhancement and Cosubstitution-Driven Band Gap Enlargement
Herein, we offer a simple but crucial case for rational design and syntheses of infrared nonlinear optical (NLO) materials by employing state-of-art AgGaS2 as a parent model. On the basis of inheri...
Broadening Frontiers of Infrared Nonlinear Optical Materials with π-Conjugated Trigonal-Planar Groups
Trigonal-planar units with high physicochemical stability and large polarizability anisotropy are one kind of promising fundamental building block (FBB) for constructing novel nonlinear optical (NL...
Evaluation of nonlinear optical properties of quaternary chalcogenide halides Ba4Si3Se9Br2 and Ba4Ge3Se9Br2
Highly Distorted [HgS4] Motif-Driven Structural Symmetry Degradation and Strengthened Second-Harmonic Generation Response in the Defect Diamond-Like Chalcogenide Hg3P2S8.
TLDR
The theoretical analysis and local dipole moment calculations elucidate that the highly distorted [HgS4] tetrahedra contribute a lot to the enhancement of the SHG effect, which will motivate the exploration of other DL Hg-based chalcogenides serving as high-performing mid-IR NLO materials.
Na3Bi(IO3)6: An Alkali-Metal Bismuth Iodate with Intriguing One-Dimensional [BiI6O18] Chains and Pressure-Induced Structural Transition.
An alkali-metal bismuth iodate, Na3Bi(IO3)6, was successfully obtained by the hydrothermal method for the first time and contains intriguing one-dimensional [BiI6O18] chains. High-pressure Raman…
AXHg3P2S8 (A = Rb, Cs; X = Cl, Br): New Excellent Infrared Nonlinear Optical Materials with Mixed‐Anion Chalcohalide Groups of Trigonal Planar [HgS2X]3− and Tetrahedral [HgS3X]5−
A series of nonlinear optical (NLO) chalcohalides AXHg3P2S8 (A = Rb, Cs; X = Cl, Br), which contain various Hg‐based building units including mixed‐anion trigonal planar [HgS2X]3− and tetrahedral…
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