Pb₁₈O₈Cl₁₅I₅: A Polar Lead Mixed Oxyhalide with Unprecedented Architecture and Excellent Infrared Nonlinear Optical Properties

Abstract

To develop high-performance nonlinear optical (NLO) materials for infrared (IR) applications, we have applied a rational element-composition design strategy and investigated the unexplored PbO-PbCl 2-PbI 2 system. By doing so, we discovered a new polar lead mixed oxyhalide,

Two new tellurite halides with cationic layers: syntheses, structures, and characterizations of CdPb2Te3O8Cl2 and Cd13Pb8Te14O42Cl14

“…As shown in Fig. 3c and d, the experimental band gaps are determined to be 3.89 eV for CdPb 2 Te 3 O 8 Cl 2 and 3.78 eV for Cd 13 Pb 8 Te 14 O 42 Cl 14 , which are comparable to the ones in previously reported tellurite compounds like α-CdTeO 3 (3.91 eV) 46 and larger than the ones in Pb 17 O 8 Cl 18 (3.44 eV), 28 Pb 13 O 6 Cl 4 Br 10 (3.05 eV), 47 Pb 13 O 6 Cl 7 Br 7 (3.13 eV), 47 Pb 13 O 6 Cl 9 Br 5 (3.21 eV), 47 Pb 18 O 8 Cl 15 I 5 (2.82 eV) 48 and CdPbOCl 2 (3.63 eV). 49…”

Synthesis, Structure & Properties of CuBiSeCl2: A Chalcohalide Material with Low Thermal Conductivity

“…This can lead to increased structural anisotropy, changes in dimensionality and the evolution of novel structure types. 2,3 Structural changes arising from such bonding variations facilitate the emergence of new physical phenomena [4][5][6] and also provide opportunities for optoelectronic property tuning through modifications to the electronic structure. 7,8 A multiple anion approach has already been successfully applied to engineer desirable properties in a variety of energy materials, including battery cathode materials, 9,10 solid state electrolytes 11 and thermoelectrics.…”

γ-P4S3I2: a new metal-free infrared second-order nonlinear optical crystal designed by polymorphism strategy

“…Thus, some strategies, including chemical substitution, mixing anions and salt-inclusion, have been proposed to obtain NCS compounds, which have resulted in plenty of IR NLO crystals being obtained, such as Li 2 ZnSiS 4 (3.9 eV, 1.1 × AgGaS 2 ), Pb 4 SeBr 6 (2.62 eV, 1.3 × AgGaS 2 ), Pb 18 O 8 Cl 15 I 5 (2.82 eV, 1.05 × AgGaS 2 ) and Li[LiCs 2 Cl][Ga 3 S 6 ] (4.18 eV, 0.7 × AgGaS 2 ). [15][16][17][18] Recently, polymorphous modification has been regarded as an effective strategy for exploring new IR NLO crystals, which has been attributed to the following reasons: (i) polymorphism is a common phenomenon in crystalline materials; and (ii) the arrangement of the building units in the structure can be further optimized, which might enhance the SHG effect, for example, [Ga 4 Se 11 ] C 2 -type supertetrahedra in α-BaGa 4 Se 7 can be reconstituted to T 2 -type [Ga 4 Se 10 ] supertetrahedra in β-BaGa 4 Se 7 with a stronger SHG response. 19 Until now, during the process of exploring new NLO polymorphism, most attention has been focused on borates and Pb-based compounds because the variable architectures of [B x O y ] and the flexible coordination environment of the Pb 2+ cation (2-10) were found to be favorable in forming polymorphs.…”