1. Lin Li, Ying Wang, Bing-Hua Lei, Shujuan Han, Zhihua Yang, Kenneth R Poeppelmeier*, Shilie Pan*, A New Deep-Ultraviolet Transparent Orthophosphate LiCs2PO4 with Large Second Harmonic Generation Response, J. Am. Chem. Soc., 2016, 138, 9101.
2. Guangmao Li, Kui Wu*, Qiong Liu, Zhihua Yang, Shilie Pan*, Na2ZnGe2S6: A new infrared frequency-conversion material with an optimal balance between large SHG response and high LDT, J. Am. Chem. Soc., 2016, 138, 7422.
3. Kui Wu, Zhihua Yang, Shilie Pan*, Na2BaMQ4 (M = Ge, Sn; Q = S, Se): New Infrared Nonlinear Optical Materials with Excellent Performances and Novel Structural Transformation, Angew. Chem. Int. Ed., 2016, 55, 6713.
4. Ying Wang, Shilie Pan*, Recent Development of Metal Borate Halides: Crystal Chemistry and Application in Second-order NLO Materials, Coord. Chem. Rev., 2016, 323, 15.
5. Kui Wu, Zhihua Yang, Shilie Pan*, Na2Hg3M2S8 (M = Si, Ge, and Sn): New Infrared Nonlinear Optical Materials with Strong Second Harmonic Generation Effects and High Laser-Damage Thresholds, Chem. Mater., 2016, 28, 2795.
6. Lili Liu, Yun Yang*, XiaoyuDong, BingbingZhang, Zhihua Yang*, Shilie Pan*, Design and Synthesis of Three Novel Carbonate Halides: Cs3Pb2(CO3)3I, KBa2(CO3)2F and RbBa2(CO3)2F with Moderate Birefrigence, Chem.-Eur. J., 2016, 22, 2944. (VIP)
7. Qiang Bian, Zhihua Yang*, Ying Wang,Chao Cao,Shilie Pan*, Predicting Global Minimum in Complex Beryllium Borate System for Deep-ultraviolet Functional Optical Applications, Sci. Reports, 2016, 6, 34839.
8. Maierhaba Abudoureheman, Shujuan Han*, Bing-Hua Lei, Zhihua Yang, Xifa Long*, Shilie Pan*, KPb2(PO3)5: a novel nonlinear optical lead polyphosphate with a short deep-UV cutoff edge, J. Mater. Chem. C, 2016, 4, 10630. (Front cover)
9. Binghua Lei, Qingrong Kong, Zhihua Yang*, Yun Yang, Ying Wang, Shilie Pan*, Hierarchized bandgap and enhanced optical responses from (d-p)π conjugated interaction in trivalent d0 transition metal nitrates, J. Mater. Chem. C, 2016, 4, 6295.
10. Miriding Mutailipu, Min Zhang*, Xiaoyu Dong,Shilie Pan*, Effects of the Orientation of [B5O11]7- Fundamental Building Blocks on Layered Structures Based on the Pentaborates, Inorg. Chem., 2016, 55, 10608.
11. Qiong Liu, Xiangyu Zhang, Zhihua Yang*, Fangfang Zhang, Lili Liu, Jiang Han, Zhi Li, Shilie Pan*, K3B3O4(OH)4·2H2O: A UV nonlinear optical crystal with isolated [B3O4(OH)4]3- anion groups, Inorg. Chem., 2016, 55, 8744.
12. Xiangyu Zhang, Hongping Wu*, Ying Wang, Xiaoyu Dong, Shujuan Han, Shilie Pan*, Application of dimensional reduction formalism to Pb12[Li2(P2O7)2(P4O13)2](P4O13): a first phosphate containing three types of discrete P-O groups, Inorg. Chem., 2016, 55, 7329.
13. Hongping Wu, Xin Su, Shujuan Han, Zhihua Yang, Shilie Pan*, Effect of the [Ba2BO3F]∞ Layer on the Band Gap: Synthesis, Characterization, and Theoretical Studies of BaZn2B2O6·nBa2BO3F (n= 0, 1, 2", Inorg. Chem., 2016, 55, 4806.
14. Donghai An, Qingrong Kong, Min Zhang*, Yun Yang*, Danni Li, Shilie Pan*, Huimin Chen, Zhi Su, Yi Sun, Miriding Mutailipu, Versatile Coordination Mode of LiNaB8O13, α- and β-LiKB8O13 via Flexible Assembling of Four-connected B5O10 and B3O7 Groups, Inorg. Chem., 2016, 55, 552.
15. Lili Liu, Yun Yang*, Qun Jing, Xiaoyu Dong, Zhihua Yang, Shilie Pan*, Kui Wu, K5Ba10(BO3)8F: A New Potassium Barium Borate Fluoride with a Perovskite-Like Structures, J. Phys. Chem. C, 2016, 120, 18763.
16. Fangfang Zhang, Fangyuan Zhang, Binghua Lei, Zhihua Yang*, Shilie Pan*, Synthesis, Characterization and Theoretical Studies of (Pb4O)Pb2B6O14: A New Lead (II) Borate with Isolated Oxygen-centered Pb4O Tetrahedra and Large SHG Response, J. Phys. Chem C, 2016, 120, 12757.
17. Ming Wen, Xin Su, Hongping Wu*, Juanjuan Lu, Zhihua Yang*, Shilie Pan*, NaBa4(GaB4O9)2X3 (X=Cl, Br)with NLO-active GaO4 tetrahedral unit: experimental and ab initio studies, J. Phys. Chem. C, 2016, 120, 6190.
18. Miriding Mutailipu,Zhi Li,Min Zhang*, Dianwei Hou, Zhihua Yang, Bingbing Zhang,Hongping Wu, Shilie Pan*, Mechanism of the Large Second Harmonic Generation Enhancement Activated by the Zn2+ Substitution, Phys. Chem. Chem. Phys., 2016, 18, 32931.
19. Guopeng Han, Qiong Liu, Ying Wang*, Xin Su, Zhihua Yang, Shilie Pan*, Experimental and Theoretical Studies on the Linear and NonlinearOptical Properties of Lead Phosphate Crystal LiPbPO4, Phys. Chem. Chem. Phys., 2016, 18, 19123.
20. Zhihua Yang, Binghua Lei, Bin Yang, Shilie Pan*, "XA6" octahedra influencing the arrangement of anionic groups and optical properties in perovskite-type [B6O10]XA3 (X = Cl, Br; A = alkali metal), Phys. Chem. Chem. Phys., 2016, 18, 15394.
21. Linping Li, Zhihua Yang*, Bing-Hua Lei, Qingrong Kong, Ming-Hsein Lee, Bingbing Zhang, Shilie Pan, Jun Zhang*, Active performance of tetrahedral groups to SHG response: theoretical interpretations of Ge/Si-containing borate crystals, Phys. Chem. Chem. Phys., 2016, 18, 6077.
22. Xinglong Chen, Fangfang Zhang*, Lili Liu, Bing-HuaLei, Xiaoyu Dong, Zhihua Yang*, Hongyi Li, Shilie Pan*, Li3AlSiO5: The First Aluminosilicate as a Potential Deep-ultraviolet Nonlinear Optical Crystal with the Quaternary Diamond-like Structure, Phys. Chem. Chem. Phys., 2016, 18, 4362.
23. Beenish Bashir, Bingbing Zhang, Binghua Lei, Zhihua Yang*, Ming-Hsien Lee, Shilie Pan*, DFT based theoretical study about the contribution of fluorine to NLO properties in borate fluorides. Cryst Growth Des., 2016, 16, 5067.
24. Lili Liu, Yun Yang, Linping Li, Zhihua Yang, Shilie Pan*, Pb2Bi2GaB3O11, A New Congruent-Melting Galloborate Containing Two Types of Asymmetric Cations with a Moderate Birefringence, Dalton Trans., 2016, 45, 18977.
25. Xin Su, Zhihua Yang*, Guopeng Han, Ying Wang, Ming Wen, Shilie Pan*, Role of the metal cation types around VO4groups on the nonlinear optical behavior of materials: experimental and theoretical analysis, Dalton Trans., 2016, 45, 14394.
26. Ni Zhen, Kui Wu*, Ying Wang, Qiang Li, Wenhui Gao, Dianwei Hou, Zhihua Yang, Huaidong Jiang, Yongjun Dong, Shilie Pan*, BaCdSnS4 and Ba3CdSn2S8: syntheses, structures, and non-linear optical and photoluminescence properties, Dalton Trans., 2016, 45, 10681.
27. Yun Yang, Xiaoyu Dong, Shilie Pan*, New Fluoroborate Cd8B5O15F with Two Different "Isolated" Borate Anions Prepared by an Open High–Temperature Solution Method, Dalton Trans., 2016, 45, 7008.
28. Lin Li, Shujuan Han*, Bing-Hua Lei, Ying Wang, Hongyi Li, Zhihua Yang, Shilie Pan*, Three New Phosphates with Isolated P2O7 unit: Noncentrosymmetric Cs2Ba3(P2O7)2 and Centrosymmetric Cs2BaP2O7, LiCsBaP2O7, Dalton Trans., 2016, 18, 6077.
29. Zhi Li, Qiong Liu, Shujuan Han, Toshiaki Iitaka, Haibin Su, Takami Tohyama, Huaidong Jiang, Yongjun Dong, Bin Yang, Fangfang Zhang, Zhihua Yang*, Shilie Pan*, Nonlinear electronic polarization and optical response in borophosphate BPO4, Phys. Rev. B, 2016, 93, 235118.
30. Xuefei Wang, Fangfang Zhang,* Bing-Hua Lei, Zhihua Yang, Shilie Pan*, Nonlinear Optical Response Mechanism of Noncentrosymmetric Lead Borate Pb6[B4O7(OH)2]3 with Three Crystallographically Independent [B4O7(OH)2]4-Chains, RSC Adv., 2016, 6, 100849.
31. Min Zhang, Zhipeng Lian, Ying Wang, Shilie Pan*, Nonlinear Optical and Self-activated Luminescent Properties of A2W3O10 (A = Rb and Cs), RSC Adv., 2016, 6, 39234.
32. Dianwei Hou, Binghua Lei, Shilie Pan, Bingbing Zhang, Zhihua Yang*, Influence of original and simulated microscopic units on SHG response in semiorganic NLO materials, RSC Adv., 2016, 6, 39534.
33. Xiangyu Zhang, Danni Li, Hongping Wu*, Zhihua Yang, Shilie Pan*, M2Ca3B16O28 (M = Rb, Cs): a structure analogous to SBBO with three-dimensional open-framework layers, RSC Adv., 2016, 6, 14205.
34. Dongdong Xu, Fangfang Zhang*, Yanzhou Sun, Zhihua Yang*, Xiaoyu Dong, Shilie Pan*, Hydrogen bond-assisted crystallization: structure, growth and characterization of a novel mixed-anion transition metal fluoride Na3NH4(TiF6)(SO4)·H2O, New J. Chem., 2016, 40, 7407.
35. Miriding Mutailipu, Dianwei Hou, Min Zhang*, Zhihua Yang, Shilie Pan*, Manipulation of Birefringence via Substitution of Sr2+ by Pb2+ Based on the Structure Model of LiSr1-xPbxBO3 (0 ≤ x ≤ 0.5), New J. Chem., 2016, 40, 6120.
36. Xiaoyu Dong, Yunjing Shi, Mingjie Zhang, Zhaohui Chen, Qun Jing, Yun Yang, Shilie Pan*, Zhiyang Yang*, Hongyi Li, The Flexibility of P2O7 Dimers in Soft Structures: M2CdP2O7 (M = Rb, Cs), Eur. J. Inorg. Chem., 2016, 2704.
37. Xiaoming Yang, Chao He, Ying Liu, Xiuzhi Li, Zujian Wang, Shujuan Han, Shilie Pan, Xifa Long*, Antiferroelectric single crystal of La0.011Pb0.984(Lu1/2Nb1/2)O3 with High Energy Storage Density, Ceram. Int.,2016,42, 10472.
38. Xiaoming Yang, Chao He, Ying Liu, Xiuzhi Li, Zujian Wang, Shujuan Han, Shilie Pan, Xifa Long*, Structural and Electrical Characteristics of (1？x)Pb(Lu1/2Nb1/2)O3–xPbTiO3 Ceramics with Low PbTiO3, J. Am. Cera. Soc., 2016, 99, 3325–3329.
39. Dongfang Pang, Chao He, Xiuzhi Li, Shujuan Han, Shilie Pan*, Xifa Long*, A new multiferroic ternary solid solution system: NdFeO3–Pb(Fe1/2Nb1/2)O3–PbTiO3, Ceram. Int., 2016, 42, 9347.
40. Zujian Wang, Chao He, Xiuzhi Li, Ying Liu, Xifa Long*, Shujuan Han, Shilie Pan, Scandium Modified Lead Magnesium Niobate-Lead Titanate Single Crystals for High Temperature and High Power Applications, Mater. Lett., 2016, 184, 162.
41. Junben Huang, Mamatrishat Mamat*, Shilie Pan, Zhihua Yang*, Hierarchical active factors to band gap and nonlinear optical response in Ag-containing quaternary-chalcogenide compounds, J. Solid State. Chem., 2016, 239, 30.
42. Shujuan Han, Chunyan Bai, Bingbing Zhang, Zhihua Yang*, Shilie Pan*, Synthesis, structure and optical properties of two isotypic crystals, Na3MO4Cl (M = W, Mo), J. Solid State Chem., 2016,237, 148.
43. Ni Zhen, Leyan Nian, Guangmao Li, Kui Wu*, Shilie Pan*, LiRe3MS7 (Re = Sm, Gd; M = Si, Ge): a series of infrared nonlinear optical materials with high laser damage thresholds and good NLO responses, Crystals, 2016, 6, 121.
44. Qingrong Kong, Yun Yang*, Lili Liu, Qiang Bian, Binghua Lei, Linping Li, Zhihua Yang, Zhi Su*, Shilie Pan*, Density functional theory calculations, growth, structure, and optical properties of birefringent LiNaV2O6, J. Mater. Res., 2016, 31, 488.
45. Muhammad Ramzan Saeed Ashraf Janjua*, Saba Jamil, Asif Mahmood, Imran Ahmad, Zhihua Yang, Shilie Pan*, First principle study of electronic and non-linear optical properties of triphenylamine dyes: Interactive design computation of new NLO compounds, Austr. J. Chem., 2016, 69, 467.
