| Nitrogenated holey graphene (C2N) surface as highly selective electrochemical sensor for ammonia M Yar, MA Hashmi, K Ayub Journal of Molecular Liquids 296, 111929, 2019 | 81 | 2019 |
| First-principles study for exploring the adsorption behavior of G-series nerve agents on graphdyine surface S Khan, M Yar, N Kosar, K Ayub, M Arshad, MN Zahid, T Mahmood Computational and Theoretical Chemistry 1191, 113043, 2020 | 55 | 2020 |
| Carbon nitride 2-D surface as a highly selective electrochemical sensor for V-series nerve agents M Yar, MA Hashmi, A Khan, K Ayub Journal of Molecular Liquids 311, 113357, 2020 | 44 | 2020 |
| The C 2 N surface as a highly selective sensor for the detection of nitrogen iodide from a mixture of NX 3 (X= Cl, Br, I) explosives M Yar, MA Hashmi, K Ayub RSC advances 10 (53), 31997-32010, 2020 | 41 | 2020 |
| Superhalogen doping: a new and effective approach to design materials with excellent static and dynamic NLO responses H Sajid, F Ullah, M Yar, K Ayub, T Mahmood New Journal of Chemistry 44 (38), 16358-16369, 2020 | 41 | 2020 |
| DFT investigation of adsorption of nitro-explosives over C2N surface: Highly selective towards trinitro benzene S Sarfaraz, M Yar, AA Khan, R Ahmad, K Ayub Journal of Molecular Liquids 352, 118652, 2022 | 40 | 2022 |
| Graphene-polyaniline composite as superior electrochemical sensor for detection of cyano explosives BA Farooqi, M Yar, A Ashraf, U Farooq, K Ayub European Polymer Journal 138, 109981, 2020 | 40 | 2020 |
| Expanding the horizons of covalent organic frameworks to electrochemical sensors; A case study of CTF-FUM M Yar, K Ayub Microporous and Mesoporous Materials 300, 110146, 2020 | 38 | 2020 |
| Therapeutic potential of C2N as targeted drug delivery system for fluorouracil and nitrosourea to treat cancer: a theoretical study F Ahsan, M Yar, A Gulzar, K Ayub Journal of Nanostructure in Chemistry 13 (1), 89-102, 2023 | 31 | 2023 |
| Computational investigation of a covalent triazine framework (CTF-0) as an efficient electrochemical sensor S Sarfaraz, M Yar, M Ans, MA Gilani, R Ludwig, MA Hashmi, M Hussain, ... RSC advances 12 (7), 3909-3923, 2022 | 31 | 2022 |
| Covalent triazine framework (CTF-0) surface as a smart sensing material for the detection of CWAs and industrial pollutants S Sarfaraz, M Yar, K Ayub Materials Science in Semiconductor Processing 139, 106334, 2022 | 30 | 2022 |
| Adsorption and sensor applications of C2N surface for G-series and mustard series chemical warfare agents M Yar, F Ahsan, A Gulzar, K Ayub Microporous and Mesoporous Materials 317, 110984, 2021 | 26 | 2021 |
| Mechanochemical Transformation of CF3 Group: Synthesis of Amides and Schiff Bases S Mkrtchyan, M Jakubczyk, S Lanka, M Yar, K Ayub, M Shkoor, ... Advanced Synthesis & Catalysis 363 (24), 5448-5460, 2021 | 22 | 2021 |
| First principles calculations of the adsorption of fluorouracil and nitrosourea on CTF-0; organic frameworks as drug delivery systems for cancer treatment F Fayyaz, M Yar, A Gulzar, K Ayub Journal of Molecular Liquids 356, 118941, 2022 | 21 | 2022 |
| Efficient detection of nerve agents through carbon nitride quantum dots: A DFT approach YSS Al-Faiyz, S Sarfaraz, M Yar, S Munsif, AA Khan, B Amin, NS Sheikh, ... Nanomaterials 13 (2), 251, 2023 | 19 | 2023 |
| Covalent Organic Framework (C6N6) as a Drug Delivery Platform for Fluorouracil to Treat Cancerous Cells: A DFT Study MA Alkhalifah, M Yar, I Bayach, NS Sheikh, K Ayub Materials 15 (21), 7425, 2022 | 19 | 2022 |
| Adsorption and dissociation of H2 molecule over first-row transition metal doped C24 nanocage as remarkable SACs: A comparative study S Sarfaraz, M Yar, R Hussain, K Ayub International Journal of Hydrogen Energy 48 (54), 20633-20645, 2023 | 18 | 2023 |
| Remarkable Single Atom Catalyst of Transition Metal (Fe, Co & Ni) Doped on C2N Surface for Hydrogen Dissociation Reaction AB Shah, S Sarfaraz, M Yar, NS Sheikh, HH Hammud, K Ayub Nanomaterials 13 (1), 29, 2022 | 18 | 2022 |
| A rational design of covalent organic framework supported single atom catalysts for hydrogen evolution reaction: a DFT study M Younas, M Yar, H AlMohamadi, T Mahmood, K Ayub, AL Khan, M Yasin, ... International Journal of Hydrogen Energy 51, 758-773, 2024 | 14 | 2024 |
| Mechanochemical Defluorinative Acylation of ortho‐Hydroxyarylenaminones by CF3‐Compounds: Synthesis of 3‐Acylchromones S Mkrtchyan, VB Purohit, S Khutsishvili, J Nociarová, M Yar, T Mahmood, ... Advanced Synthesis & Catalysis 365 (12), 2026-2035, 2023 | 14 | 2023 |
Khurshid AyubCOMSATS University AbbottabadVerified email at cuiatd.edu.pk
