Papers citing Computational design of inorganic nonlinear optical crystals based on a genetic algorithm
Hydrogen Bond-Driven Order–Disorder Phase Transition in the Near-Room-Temperature Nonlinear Optical Switch [Ag(NH3)2]2SO4
JACS Au · 2022
Yi‐Chang Yang, Xin Liu, Xue‐Bin Deng, Li‐Ming Wu, Ling Chen
Read original paper ↗ ·Periodically Poled Monolayer Lithium Niobate for Photonic Chips of Quantum Devices
ACS Applied Optical Materials · 2022
Guo-Yu Yang, Zhenyu Li, Kechen Wu
Read original paper ↗ ·New lead-iodide formates with a strong second-harmonic generation response and suitable birefringence obtained by the substitution strategy
Chemical Science · 2022
Xiangyu Zhang, Ziqi Zhou, Wen-Xiu Bao, Hong‐Xin Tang, Ruibiao Fu, Zuju Ma, Xin‐Tao Wu
Read original paper ↗ ·Role of large Rashba spin-orbit coupling in second-order nonlinear optical effects of polar BiB3O6
Physical review. B./Physical review. B · 2022
Xiao Jiang, Liangting Ye, Xiaoqiang Wu, Lei Kang, Bing Qiang Huang
Read original paper ↗ ·Large second harmonic generation in a penta-CdO 2 sheet exfoliated from its bulk phase
Journal of Materials Chemistry A · 2022
Changsheng Hou, Yiheng Shen, Qian Wang, Yoshiyuki Kawazoe, Puru Jena
Read original paper ↗ ·Three-dimensional porous borocarbonitride composed of pentagonal motifs as a high-performance pyroelectric material
Physical Chemistry Chemical Physics · 2023
Changsheng Hou, Yiheng Shen, Jiaqi Xin, Yaguang Guo, Qian Wang
Read original paper ↗ ·First-principles evaluation of the second harmonic generation response of reference organic and inorganic crystals
The Journal of Chemical Physics · 2023
François Mairesse, Lorenzo Maschio, Benoît R. Champagne
Read original paper ↗ ·Tuning of Second-Harmonic Generation in Zn-Based Metal–Organic Frameworks by Controlling the Structural Interpenetrations: A First-Principles Investigation
The Journal of Physical Chemistry C · 2023
Honglin Ma, Hongwei Jin, Yanli Li, Bi‐Lian Ni, Yi Li, Shuping Huang, Wei Lin, Yongfan Zhang
Read original paper ↗ ·Rational Design of a Rare‐Earth Oxychalcogenide Nd3[Ga3O3S3][Ge2O7] with Superior Infrared Nonlinear Optical Performance
Small · 2023
Mao‐Yin Ran, Shenghua Zhou, Wenbo Wei, Bingxuan Li, Xin‐Tao Wu, Hua Lin, Qi‐Long Zhu
Read original paper ↗ ·Zn2BS3Br: An Infrared Nonlinear Optical Material with Significant Dual-Property Enhancements Designed through a Template Grafting Strategy
Chemistry of Materials · 2023
Chun‐Li Hu, Ya‐Xiang Han, Zhi Gang Fang, Jiang‐Gao Mao
Read original paper ↗ ·Nonlinear optical crystals KPb3(3-C5H4NCOO)2Br5 and KPb3(3-C5H4NCOO)2Cl3Br2 with new Pb-centered nitrogen-halide polyhedrons obtained by the halide anionic substitution
Journal of Alloys and Compounds · 2023
Wen-Xiu Bao, Ziqi Zhou, Xiangyu Zhang, Ruibiao Fu, Hong‐Xin Tang, Zuju Ma, Xintao Wu
Read original paper ↗ ·Structural Symmetry-Breaking-Driven Giant Optical Second Harmonic Generation in Janus Monolayer ReSSe
The Journal of Physical Chemistry C · 2023
Chuan He, Hongxiao Chao, Ruowei Wu, Shi-Li Li, Lei Qiang, Xin Cao, Zhiyuan Cao, Lipeng Zhu, Huan Wang, Qiyi Zhao, Xinlong Xu
Read original paper ↗ ·Breaking Through the Trade‐Off Between Wide Band Gap and Large SHG Coefficient in Mercury‐Based Chalcogenides for IR Nonlinear Optical Application
Small · 2023
Mao‐Yin Ran, Shenghua Zhou, Wenbo Wei, Bingxuan Li, Xintao Wu, Hua Lin, Qi‐Long Zhu
Read original paper ↗ ·Regulating the key performance parameters for Hg-based IR NLO chalcogenides via bandgap engineering strategy
Chinese Chemical Letters · 2023
A-Yang Wang, Shenghua Zhou, Mao‐Yin Ran, Xintao Wu, Hua Lin, Qi‐Long Zhu
Read original paper ↗ ·Design of alkali lead oxybromides with a strong second-harmonic generation response and large birefringence
Journal of Materials Chemistry C · 2024
Jialin Zeng, Shuangcheng Li, Ya-Hui Zhu, Zilong Geng, Yiting Luo, Ruibiao Fu, Zuju Ma
Read original paper ↗ ·Investigation of nonlinear optical properties in α-A 2 BB′O 6 (A = Li, Na, K; B = Ti, Zr, Hf; B′ = Se, Te) by first-principles calculations
Physical Chemistry Chemical Physics · 2024
Gaojing Fang, Xiaojun Teng, Yan Luo, Yu Wu, Kui Xue, Xiaofeng Zhang, Yi-min Ding, Liujiang Zhou, Qiye Wen
Read original paper ↗ ·Theoretical Investigation of Structural, Electronic and Optical Properties of Cs3MoO4(HCO3) with NLO Active Functional Units
European Journal of Inorganic Chemistry · 2024
Jinyu Hu, Yinsheng Huang, Hui Zhu, Huiyan Zhao, Chao He, Xihu Wang
Read original paper ↗ ·A2Pb3[H2N(CH2COO)2]3Cl5 (A = K, Rb): Porous Crystals Constructed on [Pb3Cl5O6] Clusters with Comprehensive Nonlinear Optical Performance
Advanced Optical Materials · 2024
Yahui Zhu, Zuju Ma, Shuangcheng Li, Zilong Geng, Ruibiao Fu
Read original paper ↗ ·The first Hg-based oxychalcogenide Sr2HgGe2OS6: Achieving balanced IR nonlinear optical properties through synergistic cation and anion substitution
Materials Today Physics · 2024
Mao‐Yin Ran, Shenghua Zhou, Xintao Wu, Hua Lin, Qi‐Long Zhu
Read original paper ↗ ·Theoretical insight on structure, electronic, and optical properties of two d 0–d 10 electron transition-metal oxyhalides SHG materials
Journal of Physics D Applied Physics · 2024
Jinyu Hu, Jiamei Zhang, Huiyan Zhao, Chao He, Xihu Wang
Read original paper ↗ ·Out-of-plane Emission Dipole of Second Harmonic Generation in Odd- and Even-layered vdWs Janus Nb3SeI7
ACS Nano · 2024
Jiapeng Wang, Xinfeng Chen, Qiyi Zhao, Yuqiang Fang, Quan Liu, Jierui Fu, Yue Liu, Xinlong Xu, Jia Zhang, Liang Zhen, Cheng‐Yan Xu, Fuqiang Huang, Alfred Johann Meixner, Dai Zhang, Gaoyang Gou, Yang Li
Read original paper ↗ ·In-Plane Sliding Ferroelectricity Realized in Penta-PdSe2/Penta-PtSe2 van der Waals Heterostructure
ACS Nano · 2024
Changsheng Hou, Yiheng Shen, Qian Wang, Akira Yoshikawa, Yoshiyuki Kawazoe, Puru Jena
Read original paper ↗ ·Accurate prediction of second harmonic generation coefficients using graph neural networks
Computational Materials Science · 2024
Jianping Xiao, Yang Li, Shuqun Wang, Z. Y. He
Read original paper ↗ ·High Solar Energy Utilization and Second-Order Nonlinear Optical Response of the Janus MoSTe/WSeTe vdW Heterostructure
The Journal of Physical Chemistry C · 2024
Qiyi Zhao, Shuang-Xiong Ma, Yanhan Yang, Ze Xue, Yani Ren, Feng Zhao, Chuan He, Yunguang Zhang
Read original paper ↗ ·LiLnGeS 4 (Ln=La−Nd): Designing High Performance Infrared Nonlinear Optical Sulfides through “Band Reformation of AGS”
Angewandte Chemie International Edition · 2024
Qianqian Liu, Xin Liu, Mei-Ze Li, Rui‐Xi Wang, Bingxuan Li, Li‐Ming Wu, Ling Chen
Read original paper ↗ ·LiLnGeS 4 (Ln=La−Nd): Designing High Performance Infrared Nonlinear Optical Sulfides through “Band Reformation of AGS”
Angewandte Chemie · 2024
Qianqian Liu, Xin Liu, Mei-Ze Li, Rui‐Xi Wang, Bingxuan Li, Li‐Ming Wu, Ling Chen
Read original paper ↗ ·Carbonatoperoxovanadates with Strong Second‐Harmonic Generation: Insights from First‐Principles Calculations on Anisotropic Structures and Optical Parameters
ChemPlusChem · 2024
Jinyu Hu, Yuxin Hu, Hui Zhu, Hui‐Yan Zhao, Chao He, Xihu Wang
Read original paper ↗ ·Balanced IR Nonlinear Optical Performance Achieved by Cation–Anion Module Cosubstitution in V-Based Salt-Inclusion Oxychalcogenides
Chemistry of Materials · 2024
Mao-Yin Ran, Sheng-Hua Zhou, Bingxuan Li, Xintao Wu, Hua Lin, Qi‐Long Zhu
Read original paper ↗ ·Topology-guided design of the first 3D penta-COFs with superior ultraviolet optical response
Journal of Materials Chemistry A · 2025
Xinyuan Ma, Peng‐Hu Du, Changsheng Hou, Chenxin Zhang, Wei Sun, Qing Zhang, Qian Wang
Read original paper ↗ ·Metallic Sliding Ferroelectricity in Trilayer Penta‐NiN2
Advanced Functional Materials · 2025
Changsheng Hou, Yiheng Shen, Qian Wang
Read original paper ↗ ·Artificial Stacking Dependences of Band Structures and Second-Harmonic Generations in Bilayer Hexagonal Boron Nitride
ACS Nano · 2025
Honglin Ma, Chen Yang, Bi‐Lian Ni, Yi Li, Shuping Huang, Wei Lin, Yongfan Zhang
Read original paper ↗ ·Nonbonding Electron Inversion‐Driven Structural Engineering: Synergistic Enhancement of Linear and Nonlinear Optical Properties
Angewandte Chemie · 2025
Jia-Xiang Zhang, Sheng‐Hua Zhou, Xin‐Tao Wu, Hua Lin, Qi‐Long Zhu
Read original paper ↗ ·Nonbonding Electron Inversion‐Driven Structural Engineering: Synergistic Enhancement of Linear and Nonlinear Optical Properties
Angewandte Chemie International Edition · 2025
Jia-Xiang Zhang, Sheng‐Hua Zhou, Xin‐Tao Wu, Hua Lin, Qi‐Long Zhu
Read original paper ↗ ·Strain-Driven Symmetry Breaking and Enhanced SHG in Centrosymmetric 1T-PtS2
The Journal of Physical Chemistry Letters · 2025
Xian Zhang, Xing Xie, Shaofei Li, Junying Chen, Jun He, Zongwen Liu, Jian-Tao Wang, Yanping Liu
Read original paper ↗ ·Evolution of Second Harmonic Generation of WXO (X = S, Se, Te) under Strain for Real-Time Strain Detectors: A First-Principles Investigation
ACS Applied Materials & Interfaces · 2025
Qiyi Zhao, Qixiang Yin, Mao-Lin Zeng, De-Lin Wei, Yuxiang Zhao, Lu Li, Zun‐Yi Deng
Read original paper ↗ ·Theoretical investigation of noncentrosymmetric Ruddlesden-Popper germanium perovskites Cs 2 Ge X 4 ( X = Cl , Br, and I) for second harmonic generation
Physical review. B./Physical review. B · 2025
Zun‐Yi Deng, Qixiang Yin, Lixiang Rao, Qiyi Zhao, Gang Tang, Jiawang Hong
Read original paper ↗ ·Chiral Lead-Oxyiodide Nonlinear Optical Crystals Constructed on l -Malate Groups
Inorganic Chemistry · 2025
Yiting Luo, Shuangcheng Li, Jialin Zeng, Senfu Lei, Zilong Geng, Yulu Wu, Wenjing Yang, Ruibiao Fu, Zuju Ma
Read original paper ↗ ·Excellent nonlinear optical effects in the MoS 2 /CrOCl heterojunction
Physical Chemistry Chemical Physics · 2026
Xiaomin Wang, Xiguang Wang, Shi Qiu, Anbing Zhang, Hongsheng Liu, Dawei Li, Chunyu Ma, Vladimir Vasilyevich Uglov, Konstantin Kozadaev, Junfeng Gao
Read original paper ↗ ·LiPb3GeS4Br3：含孤对电子功能化超四面体的红外非线性光学晶体（特邀）
Chinese Journal of Lasers · 2026
胡钰晗 Hu Yuhan, Cuier Deng, 王睿曦 Wang Ruixi, 郭靖宇 Guo Jingyu, 吴立明 Wu Liming, 陈玲 Chen Ling
Read original paper ↗ ·Tailoring linear and nonlinear optical properties of 2D Sc 2 C MXenes via surface termination modulation
Dalton Transactions · 2026
Zehui Fang, Yantong Lu, Ling Ren, Hua Lin, Rongjian Sa, Zuju Ma
Read original paper ↗ ·Giant second harmonic generation in black phosphorene-based Janus monolayers
Chinese Journal of Physics · 2026
Siyi Wang, Zhihua Lin, Xinyu Li, Haoyu Wang, Shiqi Li, Junfeng Zhang, Nannan Han
Read original paper ↗ ·Enhanced Infrared Second-Harmonic Generation and Shift Current in As/SnS 2 van der Waals Heterostructure via Symmetry Engineering
The Journal of Physical Chemistry Letters · 2026
Guorong Xu, Yani Ren, Yuanyuan Huang, Xixi Zhao, Delin Wei, Ze Xue, Chuan He, Qiyi Zhao, Xinlong Xu
Read original paper ↗ ·Quantum Coherent Control of Giant Injection Photocurrent from Destructive Interference of Second‐Order Nonlinear Optical Responses
Advanced Functional Materials · 2026
Xueqin Cao, Yuanyuan Huang, Xianqi Zhong, Jiangbai Yang, Guorong Xu, Yongzhen Xiong, Yayan Xi, Xinlong Xu
Read original paper ↗ ·