Papers citing First Principle Assisted Prediction of the Birefringence Values of Functional Inorganic Borate Materials
Pb 6 Ba 2 (BO 3 ) 5 X (X = Cl, Br): new borate halides with strong predicted optical anisotropies derived from Pb 2+ and (BO 3 ) 3−
Dalton Transactions · 2015
Lu Liu, Bingbing Zhang, Fangfang Zhang, Fangfang Zhang, Shilie Pan, Fangyuan Zhang, Fangyuan Zhang, Xingwen Zhang, Xiaoyu Dong, Zhihua Yang
Read original paper ↗ ·First-Principles Evaluation of the Alkali and/or Alkaline Earth Beryllium Borates in Deep Ultraviolet Nonlinear Optical Applications
ACS Photonics · 2015
Xingxing Jiang, Siyang Luo, Lei Kang, Pifu Gong, Hongwei Huang, Shichao Wang, Zheshuai Lin, Chuangtian Chen
Read original paper ↗ ·Large Birefringent Materials, Na6Te4W6O29 and Na2TeW2O9: Synthesis, Structure, Crystal Growth, and Characterization
Crystal Growth & Design · 2015
Hongwei Yu, Weiguo Zhang, P. Shiv Halasyamani
Read original paper ↗ ·Active performance of tetrahedral groups to SHG response: theoretical interpretations of Ge/Si-containing borate crystals
Physical Chemistry Chemical Physics · 2016
Linping Li, Zhihua Yang, Bing‐Hua Lei, Qingrong Kong, Ming‐Hsien Lee, Bingbing Zhang, Shilie Pan, Jun Zhang
Read original paper ↗ ·Experimental and theoretical study of the electronic structure and optical spectral features of PbIn 6 Te 10
RSC Advances · 2016
A.H. Reshak, O.V. Parasyuk, Hussin Kamarudin, Ivan V. Kityk, Z.A. Alahmed, Nasser Saleh Alzayed, S. Auluck, A.O. Fedorchuk, J. Chyský
Read original paper ↗ ·Pb 2 Bi 2 GaB 3 O 11 , a new congruent-melting galloborate containing two types of asymmetric cations with a moderate birefringence
Dalton Transactions · 2016
Lili Liu, Yun Mo Yang, Linping Li, Zhihua Yang, Shilie Pan
Read original paper ↗ ·Design and Syntheses of Three Novel Carbonate Halides: Cs 3 Pb 2 (CO 3 ) 3 I, KBa 2 (CO 3 ) 2 F, and RbBa 2 (CO 3 ) 2 F
Chemistry - A European Journal · 2016
Lili Liu, Yun Mo Yang, Xiaoyu Dong, Bingbing Zhang, Ying Wang, Zhihua Yang, Shilie Pan
Read original paper ↗ ·Density functional theory calculations, growth, structure, and optical properties of birefringent LiNaV2O6
Journal of materials research/Pratt's guide to venture capital sources · 2016
Qingrong Kong, Yun Mo Yang, Lili Liu, Qiang Bian, Bing‐Hua Lei, Linping Li, Zhihua Yang, Zhi Su, Shilie Pan
Read original paper ↗ ·Lead nitrate hydroxide: A strong second-order optical nonlinearity acentric crystal with high laser damage thresholds
Journal of Applied Physics · 2016
A.H. Reshak
Read original paper ↗ ·Top-Seeded Solution Crystal Growth, Morphology, Optical and Thermal Properties of Ba3(ZnB5O10)PO4
Crystal Growth & Design · 2016
Hongwei Yu, Jacqueline Cantwell, Hongping Wu, Weiguo Zhang, Kenneth Reinhard Poeppelmeier, P. Shiv Halasyamani
Read original paper ↗ ·Exploring the electronic structure of Pb2+ ions containing material Pb16(OH)16(NO3)16
Journal of Physics and Chemistry of Solids · 2016
A.H. Reshak
Read original paper ↗ ·Predicting Global Minimum in Complex Beryllium Borate System for Deep-ultraviolet Functional Optical Applications
Scientific Reports · 2016
Qiang Bian, Zhihua Yang, Ying Wang, Chao Cao, Shilie Pan
Read original paper ↗ ·LiRb 2 LaB 2 O 6 : a new rare-earth borate with a MOF-5-like topological structure and a short UV cut-off edge
Dalton Transactions · 2016
Dongdong Xu, Fangfang Zhang, Yanzhou Sun, Zhihua Yang, Bing‐Hua Lei, Lili Liu, Shilie Pan
Read original paper ↗ ·New lead( ii ) borates in the PbO/PbF 2 /H 3 BO 3 ternary phase diagram: syntheses and structures of β-Pb 6 B 10 O 21 and Pb 4 B 8 O 16
New Journal of Chemistry · 2017
Lingyun Dong, Liangliang Jia, Lijun Wang
Read original paper ↗ ·Origin of the optical anisotropy and the electronic structure of Ru-based double perovskite oxides: DFT and XPS studies
RSC Advances · 2017
Anup Pradhan Sakhya, P. Raics, Md Sariful Sheikh, M. Mukherjee, Alo Dutta, T. P. Sinha
Read original paper ↗ ·Role of spin–orbit interaction on the nonlinear optical response of CsPbCO 3 F using DFT
Physical Chemistry Chemical Physics · 2017
E. Narsimha Rao, G. Vaitheeswaran, A.H. Reshak, S. Auluck
Read original paper ↗ ·The activity of lone pair contributing to SHG response in bismuth borates: a combination investigation from experiment and DFT calculation
Physical Chemistry Chemical Physics · 2017
Cong Hu, Miriding Mutailipu, Ying Wang, Fengjiao Guo, Zhihua Yang, Shilie Pan
Read original paper ↗ ·The influence of oxygen vacancies on the linear and nonlinear optical properties of Pb 7 O(OH) 3 (CO 3 ) 3 (BO 3 )
RSC Advances · 2017
A.H. Reshak, S. Auluck
Read original paper ↗ ·Two haloid borate crystals with large nonlinear optical response
Physical Chemistry Chemical Physics · 2017
A.H. Reshak, S. Auluck
Read original paper ↗ ·Fluorooxoborates: Beryllium‐Free Deep‐Ultraviolet Nonlinear Optical Materials without Layered Growth
Angewandte Chemie International Edition · 2017
Bingbing Zhang, Guoqiang Q. Shi, Zhihua Yang, Fangfang Zhang, Shilie Pan
Read original paper ↗ ·Fluorooxoborates: Beryllium‐Free Deep‐Ultraviolet Nonlinear Optical Materials without Layered Growth
Angewandte Chemie · 2017
Bingbing Zhang, Guoqiang Q. Shi, Zhihua Yang, Fangfang Zhang, Shilie Pan
Read original paper ↗ ·First-principles study lone-pair effects of Sb (III)-S chromophore influence on SHG response in quaternary potassium containing silver antimony sulfides
Journal of Solid State Chemistry · 2017
Junben Huang, Xin Su, Dianwei Hou, Bing‐Hua Lei, Zhihua Yang, Shilie Pan
Read original paper ↗ ·Spin-polarized Second Harmonic Generation from the Antiferromagnetic CaCoSO Single Crystal
Scientific Reports · 2017
A.H. Reshak
Read original paper ↗ ·Novel ternary semiconductor CdLa2X4 (X=S or Se) single crystal with efficient second harmonic generation in the visible spectral range
Journal of Alloys and Compounds · 2017
A.H. Reshak
Read original paper ↗ ·The first lead fluorooxoborate PbB 5 O 8 F: achieving the coexistence of large birefringence and deep-ultraviolet cut-off edge
Chemical Communications · 2018
Miriding Mutailipu, Min Zhang, Bingbing Zhang, Zhihua Yang, Shilie Pan
Read original paper ↗ ·Computer-Assisted Design of a Superior Be 2 BO 3 F Deep-Ultraviolet Nonlinear-Optical Material
Inorganic Chemistry · 2018
Qiang Bian, Zhihua Yang, Yanchao Wang, Miriding Mutailipu, Yanming Ma, Shilie Pan
Read original paper ↗ ·Advantageous Units in Antimony Sulfides: Exploration and Design of Infrared Nonlinear Optical Materials
ACS Applied Materials & Interfaces · 2018
Cong Hu, Bingbing Zhang, Bing‐Hua Lei, Shilie Pan, Zhihua Yang
Read original paper ↗ ·Two new mixed metal borates with the large birefringence in borates system confirmed by a disordered crystal optical calculation method
Journal of Alloys and Compounds · 2018
Xueyan Zhang, Shichao Cheng, Ming Wen, Hongyi Li, Jun Zhang
Read original paper ↗ ·ABaSbQ 3 (A = Li, Na; Q = S, Se): diverse arrangement modes of isolated SbQ 3 ligands regulating the magnitudes of birefringences
Chemical Communications · 2019
Ailijiang Abudurusuli, Kui Wu, Abudukadi Tudi, Zhihua Yang, Shilie Pan
Read original paper ↗ ·CO(NH 2 ) 2 ·NH 4 Cl: an ultraviolet birefringent material with conjugated CO groups
CrystEngComm · 2019
Wang Ya, Jian Wei Han, Abudukadi Tudi, Zhizhong Zhang, Zhihua Yang, Shilie Pan
Read original paper ↗ ·Sn 2 B 7 O 12 F with a 2∞[B 14 O 24 ] 6− layer constructed from the unprecedented [B 7 O 16 ] 11− fundamental building block
Inorganic Chemistry Frontiers · 2019
Zixiu Lu, Fangfang Zhang, Abudukadi Tudi, Zhizhong Zhang, Zhihua Yang, Shilie Pan
Read original paper ↗ ·Narrow band gap and optical anisotropy in double perovskite oxide Sm2NiMnO6: A new promising solar cell absorber
Solar Energy Materials and Solar Cells · 2019
Md Sariful Sheikh, Anup Pradhan Sakhya, Ritwik Maity, Alo Dutta, T. P. Sinha
Read original paper ↗ ·NaCa5BO3(SiO4)2 with Interesting Isolated [BO3] and [SiO4] Units in Alkali- and Alkaline-Earth-Metal Borosilicates
Inorganic Chemistry · 2019
Zhaohong Miao, Yun Mo Yang, Zhonglei Wei, Zhihua Yang, Sujuan Yu, Shilie Pan
Read original paper ↗ ·Growth and optical properties of a promising Deep-ultraviolet birefringent crystal Ba2Mg(BO3)2
Optical Materials Express · 2019
Xianshun Lv, Ping Wang, Huajian Yu, Yanyan Hu, Huadi Zhang, Chengcheng Qiu, Jing Li, Xuping Wang, Bing Liu, Yuanyuan Zhang
Read original paper ↗ ·LiBa2MIIIQ4 (MIII = Al, Ga, In; Q = S, Se): A Series of Metal Chalcogenides with a Structural Transition
Inorganic Chemistry · 2019
Ailijiang Abudurusuli, Kui Wu, Junjie Li, Alimujiang Yalikun, Zhihua Yang, Shilie Pan
Read original paper ↗ ·Noncentrosymmetric Sulfide Oxide MZnSO (M = Ca or Sr) with Strongly Polar Structure as Novel Nonlinear Crystals
The Journal of Physical Chemistry C · 2019
A.H. Reshak, Nada Mutter Abbass, Jiří Bíla, Mohd Rafie Johan, Ivan V. Kityk
Read original paper ↗ ·Designing excellent mid-infrared nonlinear optical materials with fluorooxo-functional group of d0 transition metal oxyfluorides
Science China Materials · 2019
Junben Huang, Siru Guo, Zhizhong Zhang, Zhihua Yang, Shilie Pan
Read original paper ↗ ·Atom-Resolved Analysis of Birefringence of Nonlinear Optical Crystals by Bader Charge Integration
The Journal of Physical Chemistry C · 2019
Chensheng Lin, Anyi Zhou, Wen‐Dan Cheng, Ning Ye, Guoliang Chai
Read original paper ↗ ·Transformation of Optical Anisotropy Origins in Perovskite-Related Materials: A First-Principles Study
The Journal of Physical Chemistry C · 2019
Tinghao Tong, Ming‐Hsien Lee, Jun Zhang
Read original paper ↗ ·Lone pair electron effect induced differences in linear and nonlinear optical properties of bismuth borates
New Journal of Chemistry · 2019
Wenbing Cai, Qun Jing, Jun Zhang
Read original paper ↗ ·Rb3Na(H2C3N3O3)4·3H2O with Large Birefringence
ACS Omega · 2019
Mukeremu Aibibula, Li Wang, Shuzhao Huang
Read original paper ↗ ·Effect of anion dimensionality on optical properties: the ∞ [B 7 O 10 (OH) 2 ] layer in CsB 7 O 10 (OH) 2 vs. the ∞ [B 7 O 12 ] framework in CsBaB 7 O 12
Dalton Transactions · 2019
Zhaohong Miao, Yun Mo Yang, Zhonglei Wei, Zhihua Yang, Shilie Pan
Read original paper ↗ ·Large optical polarizability causing positive effects on the birefringence of planar-triangular BO 3 groups in ternary borates
Dalton Transactions · 2020
Xinyuan Zhou, Junben Huang, Gemei Cai, Heng-Wei Zhou, Yineng Huang, Xin Su
Read original paper ↗ ·Effects of oxygen variation on the improved structural stability, electronic and optical properties of ZnTeO compounds
Journal of Physics Condensed Matter · 2020
Yee Hui Robin Chang, Tiem Leong Yoon, Thong Leng Lim, Pin Wai Koh, Eong Sheng Goh
Read original paper ↗ ·The photophysical anisotropy and electronic structure of new narrow band gap perovskites Ln2AlMnO6 (Ln = La, Pr, Nd): An experimental and DFT perspective
Ceramics International · 2020
Saswata Halder, Tushar Kanti Bhowmik, Alo Dutta, T. P. Sinha
Read original paper ↗ ·A UV birefringent crystal: RbNH4(H2C3N3O3)2·2H2O
Inorganic Chemistry Communications · 2020
Mukeremu Aibibula, Li Wang
Read original paper ↗ ·Polymorphism in SmSc3(BO3)4: Crystal structure, luminescent and SHG properties
Journal of Alloys and Compounds · 2020
Artem B. Kuznetsov, К. А. Кох, Nadezda G. Kononova, Vyacheslav S. Shevchenko, Sergey V. Rashchenko, Dmitry M. Ezhov, Ammar Y. Jamous, Asset Bolatov, Bolat Uralbekov, В. А. Светличный, Aleksander E. Kokh
Read original paper ↗ ·Differentiation of Pt−Fe and Pt−Ni3 Surface Catalytic Mechanisms towards Contrasting Products in Chemoselective Hydrogenation of α,β‐Unsaturated Aldehydes
ChemCatChem · 2020
Liangmin Ning, Mingtao Zhang, Sheng‐Yun Liao, Yuting Zhang, Dandan Jia, Yunfang Yan, Wen Gu, Xin Liu
Read original paper ↗ ·Origin of ultra-wide IR transmission and ultra-large birefringence of mercurous halide series with one dimensional chain-like structure: An ab initio study
Computational Materials Science · 2020
Rongzhen Li, Guodong Zhang, Lin Liu, Longzhen Zhang, Peng Zhang, Xiang Li, Yunqiu Hua, Xutang Tao
Read original paper ↗ ·Intriguing Dimensional Transition Inducing Variable Birefringence in K2Na2Sn3S8 and Rb3NaSn3Se8
Inorganic Chemistry · 2020
Xiao Ji, Hongping Wu, Bingbing Zhang, Hongwei Yu, Zhanggui Hu, Jiyang Wang, Yicheng Wu
Read original paper ↗ ·