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RESEARCH PAPER · The Journal of Physical Chemistry Letters · 2024

Theoretical Understanding of Nonlinear Optical Properties in Solids: A Perspective

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Theoretical Understanding of Nonlinear Optical Properties in Solids: A PerspectiveOriginalDelving into the bandgap tuning and nonlinear optical properties of hydrothermally synthesized pristine and boron doped molybdenum trioxide nanorods7Ultra‐Sensitive Bulk Piezophotovoltaic Effect in NaBa(P,Bi) Alloy Under Topological Phase Transition2Emerging Multifunctionality in 2D Ferroelectrics: A Theoretical Review of the Interplay With Magnetics, Valleytronics, Mechanics, and Optics25Band geometry induced electro-optic effect and polarization rotation6Carbonatoperoxovanadates with Strong Second‐Harmonic Generation: Insights from First‐Principles Calculations on Anisotropic Structures and Optical Parameters0Experimental and theoretical investigation of nonlinear optical properties in novel anthracene-based chalcone compounds9Ferroelectricity and Nonlinear Optical Responses in Two-Dimensional Distorted MX2Y (M = Cu, Ag, Au; X = Chalcogens; Y = Halogen) Monolayers2Incorporation of UiO-66-NH2 and carbon nanotubes into the perovskite thin films: Linear and nonlinear optical properties8Insights into the optoelectronic, quantum chemical, NBO and dynamic nonlinear optical properties of meso-BODIPY dyes3Exploring the Structural, Mechanical and Optical Properties of K2InGaX6 (X = Cl, Br or I) Compounds by Density Functional Theory9Extrusion of carbon with SON in heterocycles for enhanced static and dynamic hyperpolarizabilities and light harvesting efficiencies22Lattice mismatch, pressure and temperature effects on linear and nonlinear optical properties of InAs nanodots embedded in InAsP nanowires4Ionic covalent organic frameworks enable laser-pulse-duration-dependent high third-order nonlinear optical responses1First-principles study of carbon vacancy effects on the nonlinear optical and electronic properties of BC2N monolayers0Nonlinear optical properties and optical limiting performance of scandium doped Zinc oxide (SZO) thin films0Designing next-generation non-linear optical crystals: polar chalcopyrite Li 2 PbGeS 4 with a large NLO response, birefringence and microscopic first hyperpolarizability: a density functional calculation0Excellent nonlinear optical effects in the MoS 2 /CrOCl heterojunction1Tuning Nonlinear Optical and Photovoltaic Properties of Amino-Acid-based ABX₃ Perovskites0Tuning Nonlinear Optical and Photovoltaic Properties of Amino-Acid-based ABX₃ Perovskites0Tuning Nonlinear Optical and Photovoltaic Properties of Amino-Acid-based ABX₃ Perovskites0Recent Advances of Bulk Photovoltaic Effect in Exotic Quantum Materials: Progress and Challenges6Synthesis, Crystal Structure, and Quantum Chemical Investigation of Nonlinear Optical Behavior of Copper (II) and Cadmium (II) Complexes Based on 4-Bromo-3-methyl-1H-pyrazole3Accelerating Discovery of Ternary Chiral Materials via Large-Scale Random Crystal Structure Prediction0Enhancement of nonlinear optical properties in germanium clusters via copper doping and charge modulation: a density functional theory study0K3Sr3Li2Ga4B6O20F: A Sr2Be2B2O7-Type Ultraviolet Nonlinear Optical Crystal0Tuning nonlinear optical and photovoltaic properties of amino-acid-based ABX3 perovskites0

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  1. Delving into the bandgap tuning and nonlinear optical properties of hydrothermally synthesized pristine and boron doped molybdenum trioxide nanorods

    Journal of Materials Chemistry C · 2024-01-01

    Anjali Gopalakrishna Pillai, Mallikarjun H. Anandalli, M. S. Kala, Nandakumar Kalarikkal

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  2. Ultra‐Sensitive Bulk Piezophotovoltaic Effect in NaBa(P,Bi) Alloy Under Topological Phase Transition

    Advanced Functional Materials · 2024-07-20

    Xiao Jiang, Lei Kang, Liangting Ye, Xiaojun Chen, Bing Qiang Huang

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  3. Emerging Multifunctionality in 2D Ferroelectrics: A Theoretical Review of the Interplay With Magnetics, Valleytronics, Mechanics, and Optics

    Advanced Functional Materials · 2024-08-28

    Yan‐Fang Zhang, Hao Guo, Yongqian Zhu, Shunuo Song, Xudan Zhang, Wanhao Luo, Yuyang Zhang, Shixuan Du

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  4. Band geometry induced electro-optic effect and polarization rotation

    Physical review. B./Physical review. B · 2024-09-03

    M. Maneesh Kumar, Sanjay Sarkar, Amit Agarwal

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  5. Carbonatoperoxovanadates with Strong Second‐Harmonic Generation: Insights from First‐Principles Calculations on Anisotropic Structures and Optical Parameters

    ChemPlusChem · 2024-10-11

    Jinyu Hu, Yuxin Hu, Hui Zhu, Hui‐Yan Zhao, Chao He, Xihu Wang

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  6. Experimental and theoretical investigation of nonlinear optical properties in novel anthracene-based chalcone compounds

    Journal of Molecular Structure · 2025-01-18

    Siti Noor Farhana Ab Rahman, Mohd Mustaqim Rosli, Saleh K. Alsaee, Dian Alwani Zainuri, Suhana Arshad, Mundzir Abdullah, Ibrahim Abdul Razak

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  7. Ferroelectricity and Nonlinear Optical Responses in Two-Dimensional Distorted MX2Y (M = Cu, Ag, Au; X = Chalcogens; Y = Halogen) Monolayers

    ACS Applied Materials & Interfaces · 2025-01-20

    Yanlin Li, Jiaqi Xin, Yaguang Guo, Zhengyong Li, Xinghua Zhang

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  8. Incorporation of UiO-66-NH2 and carbon nanotubes into the perovskite thin films: Linear and nonlinear optical properties

    Optical Materials · 2025-02-07

    Zohreh Shadrokh, Shima Sousani, Zahra Dehghani, Nasim Kabir, A.M. Mozafarbeigi, Nada Mrkyvkova, Alireza Abbasi, Yaser Abdi, Peter Šiffalovič, E. Majková, Matej Jergel

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  9. Insights into the optoelectronic, quantum chemical, NBO and dynamic nonlinear optical properties of meso-BODIPY dyes

    Scientific African · 2025-02-25

    Oluwatoba Emmanuel Oyeneyin, Nathanael Damilare Ojo, Adesoji Alani Olanrewaju, Blessing Lully Isaiah, Nnenna Winifred Odozi, Edmore F. Kangara, Matshawandile Tukulula

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  10. Exploring the Structural, Mechanical and Optical Properties of K2InGaX6 (X = Cl, Br or I) Compounds by Density Functional Theory

    Journal of Inorganic and Organometallic Polymers and Materials · 2025-04-09

    Nabeel Israr, Shamim Khan, Adel El‐marghany, Muhammad Awais Jehangir, Shakeel Shakeel, Ghulam Murtaza

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  11. Extrusion of carbon with SON in heterocycles for enhanced static and dynamic hyperpolarizabilities and light harvesting efficiencies

    Chemical Physics · 2025-04-26

    Farah Tayyaba Khan, Muhammad Ibrahim, Afifa Yousuf, Muhammad Arif Ali

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  12. Lattice mismatch, pressure and temperature effects on linear and nonlinear optical properties of InAs nanodots embedded in InAsP nanowires

    Journal of Luminescence · 2025-06-05

    A. B. Davlatov, Kawtar Feddi, Bakhrom Abdulazizov, Doston Urinboev, Ramziddin Mukhiddinov

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  13. Ionic covalent organic frameworks enable laser-pulse-duration-dependent high third-order nonlinear optical responses

    Chinese Journal of Structural Chemistry · 2025-09-22

    Tianyang Dong, Xingyuan Wen, Xingzhi Wu, Ying Jiang, Ying Jiang, Chong Wang, Ruizhi Liu, Junyi Li, Wenfa Zhou, Yinglin Song, Xiaofeng Shi, Rui Wen, Chunru Wang, Li Jiang, Chunli Bai

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  14. First-principles study of carbon vacancy effects on the nonlinear optical and electronic properties of BC2N monolayers

    Physica B Condensed Matter · 2025-10-29

    Maryam Souri

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  15. Nonlinear optical properties and optical limiting performance of scandium doped Zinc oxide (SZO) thin films

    Journal of Materials Science Materials in Electronics · 2025-11-27

    Chetan Sharma, Vinay Kumari, Monika Barala, Dimple, Devendra Mohan

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  16. Designing next-generation non-linear optical crystals: polar chalcopyrite Li 2 PbGeS 4 with a large NLO response, birefringence and microscopic first hyperpolarizability: a density functional calculation

    RSC Advances · 2026-01-01

    A.H. Reshak

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  17. Excellent nonlinear optical effects in the MoS 2 /CrOCl heterojunction

    Physical Chemistry Chemical Physics · 2026-01-01

    Xiaomin Wang, Xiguang Wang, Shi Qiu, Anbing Zhang, Hongsheng Liu, Dawei Li, Chunyu Ma, Vladimir Vasilyevich Uglov, Konstantin Kozadaev, Junfeng Gao

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  18. Tuning Nonlinear Optical and Photovoltaic Properties of Amino-Acid-based ABX₃ Perovskites

    SSRN Electronic Journal · 2026-01-01

    Hossein H. babayi, Mohammad Izadyar, Samira Naserian

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  19. Tuning Nonlinear Optical and Photovoltaic Properties of Amino-Acid-based ABX₃ Perovskites

    SSRN Electronic Journal · 2026-01-01

    Hossein H. babayi, Mohammad Izadyar, Samira Naserian

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  20. Tuning Nonlinear Optical and Photovoltaic Properties of Amino-Acid-based ABX₃ Perovskites

    SSRN Electronic Journal · 2026-01-01

    Hossein H. babayi, Mohammad Izadyar, Samira Naserian

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  21. Recent Advances of Bulk Photovoltaic Effect in Exotic Quantum Materials: Progress and Challenges

    Advanced Materials · 2026-01-05

    Yiwei Zhao, Qianqian Xue, Xingchi Mu, Hanli Cui, Jian Hua Zhou

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  22. Synthesis, Crystal Structure, and Quantum Chemical Investigation of Nonlinear Optical Behavior of Copper (II) and Cadmium (II) Complexes Based on 4-Bromo-3-methyl-1H-pyrazole

    Arabian Journal for Science and Engineering · 2026-01-09

    Sajjad Hussain, Shabbir Muhammad, Mehmet Akkurt, Samia Intizar, Shamraiz Hussain Talib, Shahzad Sharif, Aijaz Rasool Chaudhry, Yan Xu

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  23. Accelerating Discovery of Ternary Chiral Materials via Large-Scale Random Crystal Structure Prediction

    Inorganic Chemistry · 2026-04-23

    Jiexi Song, Diwei Shi, Fengyuan Xuan, Chongde Cao

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  24. Enhancement of nonlinear optical properties in germanium clusters via copper doping and charge modulation: a density functional theory study

    Journal of Nanoparticle Research · 2026-06-18

    Javed Akram, Kanwal Ranian, Saeed A. Asiri, Islam H. El Azab

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  25. K3Sr3Li2Ga4B6O20F: A Sr2Be2B2O7-Type Ultraviolet Nonlinear Optical Crystal

    Inorganic Chemistry · 2026-08-28

    Bing Li, Aoge Yao, Jianqiao Wang, Zhengyang Zhou, Hongrui Liu, Haochen Li, Haotian Tian, Qian Wu, Ying Zhao, Lei Kang, Shu Hai Guo, Mingjun Xia

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  26. Tuning nonlinear optical and photovoltaic properties of amino-acid-based ABX3 perovskites

    Physica B Condensed Matter · 2026-09-25

    Hossein H. babayi, Mohammad Izadyar, Samira Naserian

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