Exploring Li4N and Li4O superalkalis as efficient dopants for the Al12N12 nanocage to design high performance nonlinear optical materials with high thermodynamic stability

Papers that cite this work

18 direct citing papers saved.

1. First example of lanthanum as dopant on Al12N12 and Al12P12 nanocages for improved electronic and nonlinear optical properties with high stability

   Materials Science in Semiconductor Processing · 2021-07-31

   Faiqa Khaliq, Khurshid Ayub, Tariq Mahmood, Shabbir Muhammad, Sobia Tabassum, Mazhar Amjad Gilani

   Read original paper ↗ · Show in map

2. Face specific doping of Janus all-cis-1,2,3,4,5,6-hexafluorocyclohexane with superalkalis and alkaline earth metals leads to enhanced static and dynamic NLO responses

   Journal of Physics and Chemistry of Solids · 2021-08-30

   Rehana Bano, Muhammad Nadeem Arshad, Tariq Mahmood, Khurshid Ayub, Ahsan Sharif, Shagufta Perveen, Sobia Tabassum, Jucai Yang, Mazhar Amjad Gilani

   Read original paper ↗ · Show in map

3. Demonstrating the Potential of Alkali Metal-Doped Cyclic C 6 O 6 Li 6 Organometallics as Electrides and High-Performance NLO Materials

   ACS Omega · 2021-10-29

   Sunaina Wajid, Naveen Kosar, Faizan Ullah, Mazhar Amjad Gilani, Khurshid Ayub, Shabbir Muhammad, Tariq Mahmood

   Read original paper ↗ · Show in map

4. A Theoretical Perspective on Strategies for Modeling High Performance Nonlinear Optical Materials

   Frontiers in Materials · 2021-12-15

   Rehana Bano, Maria Asghar, Khurshid Ayub, Tariq Mahmood, Javed Iqbal M, Sobia Tabassum, Rozalina Binti Zakaria, Mazhar Amjad Gilani

   Read original paper ↗ · Show in map

5. Mixed superalkalis are a better choice than pure superalkalis for B 12 N 12 nanocages to design high-performance nonlinear optical materials

   Dalton Transactions · 2022-01-01

   Rehana Bano, Khurshid Ayub, Tariq Mahmood, Muhammad Nadeem Arshad, Ahsan Sharif, Sobia Tabassum, Mazhar Amjad Gilani

   Read original paper ↗ · Show in map

6. Static, dynamic nonlinear optical (NLO) response and electride characteristics of superalkalis doped star like C6S6Li6

   Surfaces and Interfaces · 2022-05-11

   Naveen Kosar, Laraib Zari, Khurshid Ayub, Mazhar Amjad Gilani, Tariq Mahmood

   Read original paper ↗ · Show in map

7. Chemical Reactivity, Topological Analysis, and Second-Order Nonlinear Optical Responses of M3O@Al12N12: A Quantum Chemical Study

   Russian Journal of Physical Chemistry A · 2022-12-01

   Nabil Benyza, Fatima Allouche, Sandra Walha, Elhafnaoui Lanez, Touhami Lanez

   Read original paper ↗ · Show in map

8. DFT study of enhancement in nonlinear optical response of exohedrally and endohedrally alkaline earth metals (Be, Mg, Ca) doped adamanzane

   International Journal of Quantum Chemistry · 2022-12-01

   Amina Rafique, Hadia Maqbool, Rao Aqil Shehzad, Ijaz Ahmad Bhatti, Khurshid Ayub, Abraham Elmushyakhi, Ahmed M. Shawky, Javed Iqbal M

   Read original paper ↗ · Show in map

9. Adsorption Study of Co, Co2, H2s and Hcn Molecules on Al6n6 Nano-Cluster in Gas and Solution Phases: A Dft Study

   SSRN Electronic Journal · 2023-01-01

   Ghazal Rabiee, Fahimeh Hooriabad Saboor, Fereshte Kassaee, Zaynab Hedayati, Vahid Arzhangi, Morteza Torabi Rad

   Read original paper ↗ · Show in map

10. Enhancing NLO performance by utilizing tyrian purple dye as donor moiety in organic DSSCs with end capped acceptors: A theoretical study

    Journal of Molecular Graphics and Modelling · 2023-06-11

    Abrar U. Hassan, Sajjad Hussain Sumrra, Ghulam Mustafa, Sadaf Noreen, Asad Ali, Syeda Sara, Muhammad Imran

    Read original paper ↗ · Show in map

11. Superalkalis fabricated Te-containing [8]circulenes as outstanding NLO materials; a DFT perspective

    Computational and Theoretical Chemistry · 2023-06-28

    Naveen Kosar, Hasnain Sajid, Mohammad Z. Ahmed, Khurshid Ayub, Tariq Mahmood

    Read original paper ↗ · Show in map

12. Face specific superalkali doped corannulene complexes with significant electronic and nonlinear optical responses

    Optical and Quantum Electronics · 2023-12-14

    Rehana Bano, Nadia Nawaz, Muhammad Nadeem Arshad, Abdul Rauf, Tariq Mahmood, Khurshid Ayub, Rayed S. Alshareef, Muhammad Yasin, R. Nawaz, Mazhar Amjad Gilani

    Read original paper ↗ · Show in map

13. Understanding the second and third order nonlinear optical responses of M@b 66/64 Al 12 N 12 : a comprehensive DFT and TD-DFT study

    New Journal of Chemistry · 2024-01-01

    Meriem Zaidi, Douniazed Hannachi, Nahla Chaoui, Henry Chermette

    Read original paper ↗ · Show in map

14. H2O2 decomposition on X12Y12 (X = B, Al, Ga and Y = N, P) nanocage catalysts: a density functional theory study

    Reaction Kinetics Mechanisms and Catalysis · 2024-04-19

    Xin Lian, Wenhong Zeng, Xinlin Tang, Haiyue Liao, Wenlong Guo, Yunhuai Zhang, Guangyong Gao

    Read original paper ↗ · Show in map

15. Theoretically designed M@diaza[2.2.2]cryptand complexes: the role of non-covalent interactions in promoting NLO properties of organic electrides

    Science and Technology of Advanced Materials · 2024-05-20

    Atazaz Ahsin, Aamna Qamar, Qing Lü, Wensheng Bian

    Read original paper ↗ · Show in map

16. Phenyl-urea chromophores: DFT insights into nonlinear optical enhancement

    Materials Today Communications · 2024-08-01

    G.S. Gopika Krishnan, Karuvanthodi Muraleedharan

    Read original paper ↗ · Show in map

17. Enhancement of the electronic and optical properties of superalkali metal adsorbed Al10N10 nanocage

    Materials Science in Semiconductor Processing · 2024-09-06

    Shradha Lakhera, Meenakshi M. Rana, Kamal Devlal, Vivek Dhuliya, Diwakar Padalia

    Read original paper ↗ · Show in map

18. First‐Principles Insights into Superalkalis/Superhalogens‐Doped Be 10 O 10 Nanoring for Enhanced Harmonic Generation and Nonlinear Optical Response

    ChemistrySelect · 2025-07-01

    Munazza Idrees, Adeel Mubarık, Xue‐Hai Ju

    Read original paper ↗ · Show in map