Investigation of inherent properties of XScZ (X= Li, Na, K; Z= C, Si, Ge) half-Heusler compounds: appropriate for photovoltaic and thermoelectric applications PK Kamlesh, R Gautam, S Kumari, AS Verma
Physica B: Condensed Matter 615, 412536, 2021
49 2021 Emerging Study on Lead‐Free Hybrid Double Perovskite (CH3 NH3 )2 AgInBr6 : Potential Material for Energy Conversion between Heat and Electricity U Rani, PK Kamlesh, R Agrawal, A Shukla, A Singh Verma
Energy Technology 10 (9), 2200002, 2022
35 2022 Electronic and thermo‐physical properties of double antiperovskites X6 SOA2 (X = Na, K and A = Cl, Br, I): A non‐toxic and efficient energy storage materials U Rani, PK Kamlesh, R Agarwal, J Kumari, AS Verma
International Journal of Quantum Chemistry 121 (19), e26759, 2021
32 2021 Fundamental theoretical design of Na‐ion and K‐ion based double antiperovskite X6 SOA2 (X = Na, K; A = Cl, Br and I) halides: Potential candidate for energy … U Rani, Y Soni, PK Kamlesh, S Pachori, AS Verma
International Journal of Energy Research 45 (9), 13442-13460, 2021
30 2021 Effect of hybrid density functionals on half–Heusler LiZnX (X= N, P and As) semiconductors: potential materials for photovoltaic and thermoelectric applications PK Kamlesh, S Kumari, AS Verma
Physica Scripta 95 (9), 095806, 2020
28 2020 Progress in theoretical study of lead-free halide double perovskite Na2 AgSbX6 (X = F, Cl, Br, and I) thermoelectric materials S Kumari, PK Kamlesh, L Kumari, S Kumar, S Kumari, R Singh, R Gupta, ...
Journal of Molecular Modeling 29 (6), 195, 2023
27 2023 First-principles calculations of inherent properties of Rb based state-of-the-art half-Heusler compounds: promising materials for renewable energy applications PK Kamlesh, R Agarwal, U Rani, AS Verma
Physica Scripta 96 (11), 115802, 2021
26 2021 Comprehensive ab-initio calculations of AlNiX (X= P, As and Sb) half-Heusler compounds: stabilities and applications as green energy resources PK Kamlesh, R Agrawal, U Rani, AS Verma
Materials Chemistry and Physics 275, 125233, 2022
25 2022 Nowotny-Juza phase KBeX (X= N, P, As, Sb, and Bi) half-Heusler compounds: applicability in photovoltaics and thermoelectric generators P Verma, C Singh, PK Kamlesh, K Kaur, AS Verma
Journal of Molecular Modeling 29 (1), 23, 2023
23 2023 Emerging potential antiperovskite materials ANX3 (A= P, As, Sb, Bi; X= Sr, Ca, Mg) for thermoelectric renewable energy generators U Rani, PK Kamlesh, A Shukla, AS Verma
Journal of Solid State Chemistry 300, 122246, 2021
22 2021 Alkaline earth based antiperovskite AsPX3 (X= Mg, Ca, and Sr) materials for energy conversion efficient and thermoelectric applications U Rani, PK Kamlesh, TK Joshi, S Sharma, R Gupta, S Al-Qaisi, AS Verma
Physica Scripta 98 (7), 075902, 2023
19 2023 Computational investigation of inverse perovskite SbPX3 (X= Mg, Ca, and Sr) structured materials with applicability in green energy resources U Rani, PK Kamlesh, TK Joshi, R Singh, S Sharma, R Gupta, T Kumar, ...
Computational Condensed Matter 36, e00835, 2023
14 2023 Highly efficient and stable Ra2LaNbO6 double perovskite for energy conversion device applications JK Bairwa, PK Kamlesh, U Rani, R Singh, R Gupta, S Kumari, T Kumar, ...
Materials Science for Energy Technologies 7, 61-72, 2024
13 2024 Ab-initio calculations of structural, optoelectronic, thermoelectric, and thermodynamic properties of mixed-halide perovskites RbPbBr3− xIx (x= 0 to 3): applicable in renewable … M Rani, PK Kamlesh, S Kumawat, U Rani, G Arora, AS Verma
ECS Journal of Solid State Science and Technology 12 (8), 083006, 2023
13 2023 Modeling and simulation of multifaceted properties of X2 NaIO6 (X = Ca and Sr) double perovskite oxides for advanced technological applications JK Bairwa, M Rani, PK Kamlesh, R Singh, U Rani, S Al-Qaisi, T Kumar, ...
Journal of Molecular Modeling 29 (12), 379, 2023
10 2023 Exploring properties of organometallic double perovskite (CH3 NH3 )2 AgInCl6 : A novel material for energy conversion devices U Rani, PK Kamlesh, R Singh, T Kumar, R Gupta, S Al-Qaisi, K Kaur, ...
Modern Physics Letters B 38 (18), 2450144, 2024
8 2024 Thermoelectric performance of cadmium-based LiCdX (X= N, P, As, Sb and Bi)-filled tetrahedral semiconductors: applications in green energy resources Pallavi, C Singh, PK Kamlesh, R Gupta, AS Verma
Pramana 97 (4), 162, 2023
8 2023 Electronic structure, theoretical power conversion efficiency, and thermoelectric properties of bismuth-based alkaline earth antiperovskites U Rani, PK Kamlesh, TK Joshi, R Singh, S Al-Qaisi, R Gupta, T Kumar, ...
Journal of Molecular Modeling 29 (10), 329, 2023
6 2023 Rare earth-based oxides double perovskites A2NiMnO6 (A= La and gd): Applications in magneto-caloric, photo-catalytic and thermoelectric devices M Rani, PK Kamlesh, S Kumawat, U Rani, G Arora, AS Verma
Physica B: Condensed Matter 680, 415645, 2024
2024 Physical properties and power conversion efficiency of SrZrX3 (X N Pandit, R Singh, A Kumar, TK Joshi, A Shukla, U Rani, PK Kamlesh, ...
Modern Physics Letters B, 2450345, 2024
2024 
AJAY SINGH VERMAProfessor, Division of Research & Innovation, Uttaranchal University, DehradunEmail verificata su pu.ac.in
