| 1 |
The Removal of Cr(VI) from Aqueous Solution by Activated Carbon: Experimental and Theoretical Study |
Springer Link |
Int. J. Environ. Sci. Technol |
5557–5568 |
21 |
2023-12-24 |
Saeed Ullah Jan, Aziz Ahmad, Adnan Ali Khan, Iftikhar Ahmad, and Rashid Ahmad |
| 2 |
Tailoring chemoselectivity of Fe/Ni catalyst for hydrogenation of carbonyl compound, |
Elsevier |
Catalysis Today |
114278 |
423 |
2023-11-01 |
Umar Wahab, Saima Sadiq, Zaffar Iqbal, Muhammad Sadiq, Chang Min Kim, Sher Ali Khan, Adnan Ali Khan |
| 3 |
Highly sensitive and simple fluorescence-based method for trace level residue determination of pinoxaden in agricultural and environmental samples: Experimental and DFT study, |
Elsevier |
Microchemical Journal |
109248 |
193 |
2023-10-01 |
Mian Muhammad, Fatima Bibi, Hamayun Khan, Faiz Ali, Sikandar Khan, Adnan Ali Khan |
| 4 |
Quinone Functionalized Highly Porous Polymer as Cathode Material for Mg Ion Batteries: A DFT Study |
Elsevier |
J. Power Sources |
233358 |
580 |
2023-10-01 |
Adnan Ali Khan, Imran Muhammad, Rashid Ahmad, Iftikhar Ahmad and Najeeb Ullah |
| 5 |
Use of a Porous Phenanthrenequinone Polymer-Based Cathode in Mg-Ion Batteries |
ACS |
J. Phys. Chem. C. |
14075–14085 |
7 |
2024-07-18 |
Adnan Ali Khan, Imran Muhammad, Rashid Ahmad, Iftikhar Ahmad and Najeeb Ullah |
| 6 |
An efficient synthesis of bis-Schiff’s bases of polyhydroquinoline derivativesvia multistep reactions, anti-bacterial activities and DFT approach |
Chemistry Europe |
Journal of Molecular Structure |
136059 |
1292 |
2023-06-17 |
Muhammad Ismail, Rashid Ahmad, Abdul Latif, Adnan Ali Khan, Manzoor Ahmad, Ajmal Khan, Ahmed Al-Harrasi, Mumtaz Ali |
| 7 |
Synthesis, Antibacterial Activities and Theoretical Study of Polyhydroquinoline Derivatives |
Elsevier |
ChemistrySelect |
e202300954 |
8 |
2023-03-13 |
Muhammad Ismail, Rashid Ahmad, Abdul Latif, Adnan Ali Khan, Aftab Alam, Fethi Ahmet Ozdemir, Ammara, and Mumtaz Ali |
| 8 |
Intriguing optical and photocatalytic properties of pentagonal penta-PtPS, PtPSe and -PtPTe monolayers: A first-principle study |
Elsevier |
J Phys Chem Solids |
111280 |
177 |
2023-06-06 |
Tausif Iqbal, Gul Rehman, Imad Khan, Rashid Ahmad and Iftikhar Ahmad |
| 9 |
“Efficient detection of nerve agents through carbon nitride quantum dots: A DFT approach” |
MDPI |
Nanomaterials, MDPI |
251 |
13 |
2023-01-06 |
Sehrish Sarfaraz, Muhammad Yar, Adnan Ali Khan, Khurshid Ayub, et.al., |
| 10 |
Anodic SnO2 Nanoporous Structure Decorated with Cu2O Nanoparticles for Sensitive Detection of Creatinine: Experimental and DFT Study |
ACS |
ACS Omega |
42377–42395 |
7 |
2022-11-09 |
Habib Ullah, Rashid Ahmad, Adnan Ali Khan, Na Eun Lee, Jaewoo Lee, Atta Ullah Shah, Maaz Khan, Tahir Ali, Ghafar Ali, Qasim Khan, and Sung Oh Cho |
| 11 |
First Principle Study of Benzoquinone Based Microporous Conjugated Polymers as Cathode Materials for High-Performance Magnesium Ion Batteries |
Elsevier |
Comput. Mater. Sci. |
111757 |
214 |
2024-11-01 |
Adnan Ali Khan, Imran Muhammad, Rashid Ahmad, Iftikhar Ahmad and Najeeb Ullah |
| 12 |
A sensitive non-enzymatic glucose sensor based on MgO entangled nanosheets decorated with CdS nanoparticles: Experimental and DFT study |
Elsevier |
Journal of Molecular Liquids |
119366 |
360 |
2022-08-15 |
Habib Ullah, Rashid Ahmad, Adnan Ali Khan, Nilem Khaliq, Maaz Khan, Ghafar Ali3, Shafqat Karim, Xie Yi and Sung Oh Cho, |
| 13 |
Anodic SnO2 Nanoporous Channels Functionalized with CuO Quantum Dots for Selective H2O2 Biosensing |
ACS |
ACS Appl. Nano. Mater. |
9096-9111 |
5 |
2022-07-14 |
Habib Ullah, Fahad Usman, Muhammad Rasheed, Adnan Ali Khan, Rashid Ahmad, Sang Le, Jun Heo, Ghafar Ali, Maaz Khan, and Sung Oh Cho |
| 14 |
Silicon-doped boron nitride graphyne-like sheet for catalytic N2O reduction: A DFT study |
Elsevier |
Journal of Molecular Graphics and Modelling |
108186 |
114 |
2022-07-07 |
Adnan Ali Khan Mehdi D. Esrafili, Faisal Ali, Rashid Ahmad and Iftikhar Ahmad |
| 15 |
Theoretical insight of ciprofloxacin removal from water using boron nitride (B12N12) |
Elsevier |
Journal of Molecular Graphics and Modelling |
101982 |
31 |
2022-07-01 |
Qaisar Ali, Adnan Ali Khan, Muhammad Yar, Momin Khan, Rashid Ahmad and Iftikhar Ahmad |
| 16 |
Modification of sludge-based biochar using air roasting-oxidation and its performance in adsorption of uranium(VI) from aqueous solutions |
Elsevier |
Journal of Colloid and Interface Science |
547-555 |
614 |
2022-05-15 |
Yiwei Sun, Baiyan Zeng, Yatang Dai, Xiangjing Liang, Lijuan Zhang, Rashid Ahmad and Xintai Su, |
| 17 |
Nano-porous C4N as a toxic pesticide's scavenger: A quantum chemical approach |
Elsevier |
Journal of Molecular Graphics and Modelling |
108078 |
111 |
2022-03-01 |
Misbah Asif, Hasnain Sajid, Khurshid Ayub, Adnan Ali Khan Rashid Ahmad, Muhammad Ans and Tariq Mahmood |
| 18 |
Co Anchored B36 Cluster as a Novel Single Atom Catalyst for Removing Toxic CO Molecules: A Mechanistic First-Principles Study |
Chemistry Europe |
Chemistry Select |
e202103798 |
7 |
2022-01-21 |
Adnan Ali Khan, Rahmat Ullah, Mehdi D. Esrafili, Rashid Ahmad and Iftikhar Ahmad |
| 19 |
DFT investigation of adsorption of nitro-explosives over C2N surface: Highly selective towards trinitro benzene |
Elsevier |
Journal of Molecular Liquids |
118652 |
252 |
2022-04-15 |
Sehrish Sarfaraz, Muhammad Yar, Adnan Ali Khan, Rashid Ahmad and Khurshid Ayub |
| 20 |
Selective sensing of NH3 and CH2O molecules by novel 2D porous hexagonal boron oxide (B3O3) monolayer: A DFT approach |
Elsevier |
Surf. Interfaces |
101767 |
29 |
2022-04-01 |
Najib Ur Rahman, Adnan Ali Khan, Rahmat Ullah, Rashid Ahmad and Iftikhar Ahmad |
| 21 |
Facile Synthesis of the Shape-Persistent 4-Hydroxybenzaldehyde Based Macrocycles and Exploration of their Key Electronic Properties: An Experimental |
Chemistry Europe |
ChemistrySelect |
118652 |
7 |
2022-02-17 |
Mumtaz Ali, Abdul Latif, Saeeda Bibi, Sardar Ali, Akbar Ali, Manzoor Ahmad, Rashid Ahmad, Adnan Ali Khan, Ajmal Khan, Alany Ingrid Ribeiro, Ahmed Al-Harrasi, and Umar Farooq |
| 22 |
Revealing the Quasiparticle Electronic and Excitonic Nature in Cubic, Tetragonal and Hexagonal Phases of FAPbI3 |
AIP Publishing |
AIP Advances |
25330 |
12 |
2024-02-01 |
Zeeshan Muhammad1, Peitao Liu, Rashid Ahmad, Saeid Jalali-Asadabadi, Cesare Franchini and Iftikhar Ahmad |
| 23 |
Correlation between structural, electronic, and optical response of Ga-doped AlSb for optoelectronic applications: a first principle study., |
Springer Link |
The European Physical Journal B, |
95-55 |
95 |
2022-03-18 |
Shafqat Nabi, Abdul Waheed Anwar, Adnan Ali Khan, et.al., |
| 24 |
“Alkali metal decorated C60 fullerenes as promising materials for delivery of anticancer 5-fluorouracil drug: A DFT approach” |
RSC Advances |
RSC Advances, |
3948 |
12 |
2022-02-01 |
Mehdi D. Esrafili, Adnan Ali Khan |
| 25 |
Al-decorated C24N24 fullerene: A robust single-atom catalyst for CO oxidation |
Elsevier |
Polyhedron |
115497 |
210 |
2021-12-01 |
Adnan Ali Khan, Mehdi D. Esrafili, Rashid Ahmad and Iftikhar Ahmad |
| 26 |
Penta Graphene: A Superior Anode Material for Mg-ion Batteries with High Specific Theoretical Capacity |
Springer Link |
International Journal Of Ionics |
4819–4828 |
27 |
2021-10-23 |
Adnan Ali Khan, Imran Muhammad, Rashid Ahmad and Iftikhar Ahmad |
| 27 |
“Synergic effects between boron and nitrogen atoms in BN-codoped C59nBNn fullerenes (n ¼ 1–3) for metal-free reduction of greenhouse N2O gas†” |
RSC Advances |
RSC. Adv. |
22598 |
11 |
2021-06-28 |
Mehdi D. Esrafili, Adnan Ali Khan, Parisasadat Mousavian |
| 28 |
Removal of nitrous and carbon mono oxide from flue gases by Si-coordinated nitrogen doped C60-fullerene |
Elsevier |
Molecular Catalysis |
111674 |
509 |
2021-06-01 |
Adnan Ali Khan, Rashid Ahmad and Iftikhar Ahmad |
| 29 |
“Borophene-based three-dimensional porous structures as universal anode materials for Li, Na, K-ion batteries with ultrahigh capacity” |
ACS |
2976-2983 |
2976-2983 |
33 |
2021-04-14 |
Muhammad Imran, Umer Younis, Huanhuan Xie, Adnan Ali Khan, Abdul Khaliq, Abdus Samad, Udo Schwingenschlogl, Qiang Sun |
| 30 |
Synthesis, characterization and electrochemical analysis of TiO2 nanostructures for sensing L-Cysteine and hydrogen per oxide |
Elsevier |
Physica E: Low-dimensional Systems and Nanostructures, |
114541 |
128 |
2021-04-01 |
Muhammad Hussain, Nilem Khaliq, Adnan Ali Khan, Maaz Khan, Ghafar Ali, Muhammad Maqbool |
| 31 |
Novel Nitrogen-Doped KFeS2/C Composites for Efficient Removal of Cr(VI) |
RSC |
Environ. Sci. Nano |
1057-1066 |
8 |
2021-03-16 |
Qiaohong Su, Adnan Ali Khan, Zhi Su, Chen Tian, Xiaoqin Li , Jiahua Gu, Ting Zhang , Rashid Ahmad, Xintai Su and Zhang Lin |
| 32 |
Silicon Carbide and III-Nitrides Nanosheets: Promising Anodes for Mg-ion Batteries |
Elsevier |
Materials Chemistry and Physics |
123785 |
25 |
2021-01-01 |
Adnan Ali Khan, Rashid Ahmad and Iftikhar Ahmad |
| 33 |
“Theoretical Studies of CsSnX3 (X= Cl, Br and I) For Energy Storage and Hybrid Solar Cell Applications” |
Elsevier |
Mater. Today Commun. |
101517 |
25 |
2020-12-01 |
Liaqat Ali, Murad Ahmad, Muhammad Shafiq, Tahir Zeb, Rashid Ahmad, M. Maqbool, Iftikhar Ahmad, S. Jalali-Asadabadi and Bin Amin |
| 34 |
Removal of Azo Dye from Aqueous Solution by a Low Cost Activated Carbon Prepared from Coal: Adsorption Kinetics, Isotherms Study and DFT Simulation |
Springer Link |
Environmental Science and Pollution Research |
10234–10247 |
28 |
2020-11-10 |
Saeed Ullah Jan, Aziz Ahmad, Adnan Ali Khan, Saad Melhi, Iftikhar Ahmad, Guohua Sun, Cheng-Meng Chen and Rashid Ahmad |
| 35 |
Synthesis and Characterization of Functionalized Nanosilica for Zinc Ion Mitigation; Experimental and Computational Investigation |
MDPI |
Molecules |
5534 |
25 |
2020-11-25 |
Zarshad Ali, Rashid Ahmad, W. Aslam Farooq, Aslam Khan, Adnan Ali Khan, Saira Bibi, Bushra Adalat, Mona A. Almutairi, Nafeesah Yaqub and Muhammad Atif |
| 36 |
“Tunable Relativistic Quasiparticle Electronic and Excitonic Behavior of the FAPb(I1-xBrx)3 Alloy” |
RSC |
Phys. Chem. Chem. Phys |
11943-11955 |
22 |
2020-05-01 |
Zeeshan Muhammad, Peitao Liu, Rashid Ahmad, Saeid Jalali Asadabadi, Cesare Franchini and Iftikhar Ahmad, |
| 37 |
“Density Functional Theory Study of Emerging Pollutants Removal from Water by Covalent Triazine Based Framework” |
Elsevier |
J. Mol. Liq |
113008 |
309 |
2020-07-01 |
Adnan Ali Khan, Iftikhar Ahmad and Rashid Ahmad, |
| 38 |
“Influence of Electric Field on CO2 Removal by P-Doped C60-Fullerene: A DFT Study” |
Elsevier |
Chem. Phys. Lett. |
137-155 |
742 |
2020-03-02 |
Adnan Ali Khan, Iftikhar Ahmad and Rashid Ahmad, |
| 39 |
“Terbium Extraction by Functionalized Surface: Experimental and DFT Approach” |
Springer Link |
Adsorption |
117-125 |
25 |
2019-12-19 |
Rashid Ahmad, Zarshad Ali, Adnan Ali Khan and Najeeb Ur Rehman |
| 40 |
“Physical properties and possible applications of gold-based rare earth intermetallics (R-Au): A review” |
Elsevier |
J. Magn. Magn. Mater. |
165477 |
490 |
2019-11-15 |
Sardar Ahmad, Rashid Ahmad, and Iftikhar Ahmad |
| 41 |
“A Bifunctional and Free‐Standing Organic Composite Film with High Flexibility and Good Tensile Strength for Tribological and Electrochemical Applications” |
WILEY |
, Adv. Mater. Technol. |
1900617 |
4 |
2018-09-02 |
Aziz Ahmad, Abolhassan Imani, Lijuan Mao, Rashid Iqbal, Hui Zhang, Zahid Ali Ghazi, Rashid Ahmad, Adnan Ali Khan, Lijing Xie, Cheng‐Meng Chen, Zhong Zhang, Zhixiang Wei |
| 42 |
“A Computational Study on The Characteristics of Open-Shell H-Bonding Interaction Between Carbamic Acid (NH2COOH) and HO2, HOS or HSO Radicals” |
Springer Link |
J. Mol. Model. |
189 |
25 |
2019-06-14 |
Adnan Ali Khan, Mehdi D. Esrafili, Aziz Ahmad, Emily Hull, Rashid Ahmad, Saeed Ullah Jan and Iftikhar Ahmad |
| 43 |
“Facile route for green synthesis of N-benzylideneaniline over bimetallic reduced graphene oxide: chemical reactivity of 2,3,4-substituted derivatives of aniline” |
Springer Link |
Research on Chemical Intermediates. |
2947-2961 |
45 |
2019-02-23 |
Razia Aman. Saima Sadiq, Muhammad Ali, Muhammad Sadiq, Jehan Gul, Khalid Saeed, Adnan Ali Khan, Sagheer Hussain Shah |
| 44 |
“DFT Studies of Thermoelectric Properties of R-Au Intermetallics at 300K Temperature”. |
Elsevier |
J. Rare Earth. |
197-202 |
36 |
2018-02-01 |
Sardar Ahmad, Rashid Ahmad, Muhammad Bilal and Najeeb Ur Rehman, |
| 45 |
“Adsorptive Removal of Cd2+ from Aqueous Solution by a Highly Stable Solvent Triazine-based Framework”. |
RSC |
New J. Chem. |
1023410242 |
36 |
2018-05-09 |
Zahid Ali Ghazi, Abdul Muqsit Khattak, Rashid Iqbal, Rashid Ahmad, Adnan Ali Khan, Muhammad Usman, Faheem Nawaz, Wajid Alia, Zahra Felegari, Saadullah Jan, Azhar Iqbal and Aziz Ahmad |
| 46 |
“First Principle Studies of Structural, Magnetic and Elastic Properties of Orthorhombic Rare-earth Diaurides Intermetallics RAu2 (R=La, Ce, Pr and Eu)”. |
Elsevier |
Mater. Chem. Phys. |
44-50 |
212 |
2018-06-15 |
Sardar Ahmad, Rashid Ahmad, S. Jalali-Asadabadi, Zahid Ali and Iftikhar Ahmad, |
| 47 |
“Strongly Correlated Intermetallic Rare-earth Monoaurides (Ln-Au): Ab-initio Study” |
Elsevier |
J. Rare Earth. |
1106-1111 |
36 |
2018-10-01 |
Sardar Ahmad, M. Shafiq, Rashid Ahmad, S. Jalali-Asadabadi, and Iftikhar Ahmad |
| 48 |
“First Principle Studies of Electronic and Magnetic Properties of Lanthanide-Gold (RAu) Binary Intermetallics”. |
Elsevier |
J. Magn. Magn. Mater. |
458-463 |
422 |
2017-01-15 |
Sardar Ahmad, Rashid Ahmad, Saied. Jalali-Asadabadi, Zahid Ali and Iftikhar Ahmad |
| 49 |
“Structural, Electronic and Optical Properties of CsPbX3 (X=Cl, Br, I) for Energy Storage and Hybrid Solar Cell Applications” |
Elsevier |
J. Alloys Comp. |
828-839 |
705 |
2017-05-25 |
Murad Ahmad, Gul Rehman, Liaqat Ali, Muhammad Shafiq, Rashid Iqbal, Rashid Ahmad, Tahirzeb Khan, S. Jalali-Asadabadi, Muhammad Maqbool and Iftikhar Ahmad |
| 50 |
“DFT and post-DFT studies of Metallic MXY3-type Compounds for Low Temperature TE Applications”. |
Elsevier |
Solid State Commun. |
28–35 |
243 |
2016-10-01 |
Muhammad Bilal, Saifullah, Iftikhar Ahmad, S. Jalali-Asadabadi, Rashid Ahmad and Muhammad Shafiq |
| 51 |
“Electronic Structure of the LiAÀO6 (A =Nb, Ta, and À = W, Mo) Ceramics by Modified Becke-Johnson Potential”. |
Elsevier |
Opt. Mater. |
466-475 |
58 |
2016-08-01 |
Zahid Ali, Imad Khan, Mazhar Rahman, Rashid Ahmad and Iftikhar Ahmad, |
| 52 |
“First Principles Studies of Pure and Fluorine Substituted Alanines”. |
World Scientific |
Int. J. Mod. Phys. B. |
1650079 |
30 |
2016-05-25 |
Sardar Ahmad, Hamide Vaizie, H. A. Rahnamaye Aliabad, Rashid Ahmad, Imad Khan, Zahid Ali, S. Jalali-Asadabadi, Iftikhar Ahmad and Amir Abdullah Khan, |
| 53 |
“Electronic Band Structures of the Highly Desirable III–V Semiconductors: TB-mBJ DFT Studies”. |
Springer Link |
Journal of Elec. Materi. |
3314-3323 |
45 |
2016-05-05 |
Gul Rehman, M. Shafiq, Saifullah, Rashid Ahmad, S. Jalali-Asadabadi, M. Maqbool, Imad Khan, H. Rahnamaye-Aliabad and Iftikhar Ahmad, |
| 54 |
“Ab Initio Study of the Bandgap Engineering of Al1-xGaxN for Optoelectronic Applications” |
AIP Publishing |
J. Appl. Phys. |
1-5 |
109 |
2011-01-15 |
Bin Amin, Iftikhar Ahmad, Muhammad Maqbool, Souraya Goumri-Said and Rashid Ahmad |
| 55 |
“Cr-Doped III–V Nitrides: Potential Candidates for Spintronics” |
Springer Link |
J. Electron. Mater. |
1428 |
40 |
2011-02-19 |
Bin Amin, Iftikhar Ahmad, Suneela Arif, Muhammad Maqbool, Rashid Ahmad, Souraya Goumri-Said and Keith Prisbrey |
| 56 |
“Investigation of Half Metallicity in Fe Doped CdSe and Co Doped CdSe Materials”. |
Elsevier |
Curr. Appl Phys. |
184-187 |
12 |
2012-06-01 |
Suneela Arif, Bin. Amin, Iftikhar Ahmad, Muhammad. Maqbool, Rashid Ahmad, Muhammad. Haneef and Nazima Ikram, |
| 57 |
“Antiperovskite Compounds SbNSr3 and BiNSr3: Potential Candidates for Thermoelectric Renewable Energy Generators”. |
Elsevier |
Phys. Lett. A. |
206-210 |
379 |
2015-01-23 |
Muhammad Bilal, Saifullah, Muhammad Shafiq, Banaras Khan, Hossain Asghar Rahnamaye Aliabad, S. Jalali-Asadabadi, Rashid Ahmad and Iftikhar Ahmad |
| 58 |
“Electronic Properties of Antiperovskite Materials from State-of-the-Art Density Functional Theory”. |
Hindawi |
J. Chem. |
495131 |
2015 |
2015-03-09 |
Muhammad Bilal, S. Jalali-Asadabadi, Rashid Ahmad and Iftikhar Ahmad |
| 59 |
“Thermoelectric Properties of Metallic Antiperovskites AXD3 (A= Ge, Sn, Pb, Al, Zn, Ga; X=N, C; D=Ca, Fe, Co)”. |
Springer Link |
Electron. Mater. Lett. |
466480 |
11 |
2015-05-10 |
Muhammad Bilal, Iftikhar Ahmad, S. Jalali-Asadabadi, Rashid Ahmad and Muhammad Maqbool |
