A series of new pentanary inorganic supramolecular sulfides(A_(3)X)[MB_(12)(MS_(4))_(3)](A=K,Cs;X=Cl,Br,I;M=Ga,In,Gd)have been synthesized using high-temperature solid-state reactions.They crystallize in the noncentro...A series of new pentanary inorganic supramolecular sulfides(A_(3)X)[MB_(12)(MS_(4))_(3)](A=K,Cs;X=Cl,Br,I;M=Ga,In,Gd)have been synthesized using high-temperature solid-state reactions.They crystallize in the noncentrosymmetric hexagonal space group P6_(3)22.展开更多
Nonlinear optical(NLO)materials in the middle infrared(IR)region play an important role in IR laser output.However,their applications are restricted by the imbalance between the large second-harmonic generation(SHG)re...Nonlinear optical(NLO)materials in the middle infrared(IR)region play an important role in IR laser output.However,their applications are restricted by the imbalance between the large second-harmonic generation(SHG)responses and high laser-induced damage thresholds(LIDTs)for the most successful commercial ones.Aiming at this issue,two new pentanary chalcogenides,LiAgIn_(2)GeS_(6)(1)and NaAgIn_(2)GeS_(6)(2).展开更多
Two new pentanary sulfides Ba_(3)La_(4)Ga_(2)Sb_(2)S_(15)(1)and BaLa_(3)GaSb_(2)S_(10)(2)have been discovered by high temperature solid state reactions.Ba_(3)La_(4)Ga_(2)Sb_(2)S_(15)features a new zero-dimensional str...Two new pentanary sulfides Ba_(3)La_(4)Ga_(2)Sb_(2)S_(15)(1)and BaLa_(3)GaSb_(2)S_(10)(2)have been discovered by high temperature solid state reactions.Ba_(3)La_(4)Ga_(2)Sb_(2)S_(15)features a new zero-dimensional structure type,which consists of unique isolated Sb_(2)S_(7)dimers and GaS_(4)tetrahedra.In contrast,with less GaS_(4)tetrahedra in the formula,BaLa_(3)GaSb_(2)S_(10)forms a one-dimensional structure which is constructed by teeter-totter(SbS_(4))n chains and isolated GaS_(4)tetrahedra.On the basis of UV/Vis spectroscopy,their band gaps are determined to be 2.42 and 2.15 eV,respectively,which are much wider than that of analogue La_(4)FeSb_(2)S_(10)(1.0 eV).In addition,theoretical studies illustrate the important role of Ga in expanding the band gaps with respect to Fe atoms.The calculated crystal orbital Hamilton population and electron localization function confirm that the long Sb-S bonds in Ba_(3)La_(4)Ga_(2)Sb_(2)S_(15)(2.932(2)A)and BaLa_(3)GaSb_(2)S_(10)(3.216(5)and 3.219(5)A)have weak but nonnegligible bonding interactions.展开更多
基金the financial support from the Natural Science Foundation of China(21673203 and 21771159)the Higher Education Science Foundation of Jiangsu Province(15KJB150031)the Natural Science Foundation of Yangzhou(YZ2016122),the Qing Lan Project and the Priority Academic Program Development of Jiangsu Higher Education Institutions.
文摘A series of new pentanary inorganic supramolecular sulfides(A_(3)X)[MB_(12)(MS_(4))_(3)](A=K,Cs;X=Cl,Br,I;M=Ga,In,Gd)have been synthesized using high-temperature solid-state reactions.They crystallize in the noncentrosymmetric hexagonal space group P6_(3)22.
基金financial support from the National Natural Science Foundation of China(21771159,22071212)Qinglan Project of Jiangsu Province of China,Postgraduate Research&Practice Innovation Program of Jiangsu Province(KYCX21_3195)the Foundation of Excellent Doctoral Dissertation of Yangzhou University.We also thank Dr Bingxuan Li in FJIRSM,CAS for LIDT data measurement and his financial support from the Youth Innovation Promotion Association CAS(2022303).
文摘Nonlinear optical(NLO)materials in the middle infrared(IR)region play an important role in IR laser output.However,their applications are restricted by the imbalance between the large second-harmonic generation(SHG)responses and high laser-induced damage thresholds(LIDTs)for the most successful commercial ones.Aiming at this issue,two new pentanary chalcogenides,LiAgIn_(2)GeS_(6)(1)and NaAgIn_(2)GeS_(6)(2).
基金supported by the NSF of China(No.21225104,21233009,91422303,21571020,21301175,21171168 and 21671023)。
文摘Two new pentanary sulfides Ba_(3)La_(4)Ga_(2)Sb_(2)S_(15)(1)and BaLa_(3)GaSb_(2)S_(10)(2)have been discovered by high temperature solid state reactions.Ba_(3)La_(4)Ga_(2)Sb_(2)S_(15)features a new zero-dimensional structure type,which consists of unique isolated Sb_(2)S_(7)dimers and GaS_(4)tetrahedra.In contrast,with less GaS_(4)tetrahedra in the formula,BaLa_(3)GaSb_(2)S_(10)forms a one-dimensional structure which is constructed by teeter-totter(SbS_(4))n chains and isolated GaS_(4)tetrahedra.On the basis of UV/Vis spectroscopy,their band gaps are determined to be 2.42 and 2.15 eV,respectively,which are much wider than that of analogue La_(4)FeSb_(2)S_(10)(1.0 eV).In addition,theoretical studies illustrate the important role of Ga in expanding the band gaps with respect to Fe atoms.The calculated crystal orbital Hamilton population and electron localization function confirm that the long Sb-S bonds in Ba_(3)La_(4)Ga_(2)Sb_(2)S_(15)(2.932(2)A)and BaLa_(3)GaSb_(2)S_(10)(3.216(5)and 3.219(5)A)have weak but nonnegligible bonding interactions.
