Ph.D (Physics) , M.Tech (Nano Technology), M.Sc. (Physics), M.A. (Geography)
RESEARCH, TEACHING, or OTHER INTERESTS
Materials Science, Computational Theory and Mathematics, Renewable Energy, Sustainability and the Environment, Electronic, Optical and Magnetic Materials
An efficient and stable lead-free organic–inorganic tin iodide perovskite for photovoltaic device: Progress and challenges Monika, Sanjay Pachori, Rohit Agrawal, Banwari Lal Choudhary, Ajay Singh Verma Energy Reports, 2022 Hybrid halide perovskites are an outstanding family of materials for a wide range of optoelectronic applications due to their unique optical and electrical properties. Lead-based chemicals, which are harmful to the environment, are used to attain high power conversion efficiency. Here, carried out the modeling and simulation for fundamental and photovoltaic analysis of a non-toxic formamidinium tin iodide [HC(NH2)2SnI 3] perovskite, via the first-principles method executed in WIEN-2K code with WC-GGA potential. Direct energy bandgap 1.34 eV (at symmetry point R), Optical (dielectric constants, refractive index, absorption coefficient), Elastic parameters (Pugh ratio B/G ∼ 2.21, anisotropic index A ∼ 0.54) reveals that FASnI 3 have a semiconductor nature and have broader visible absorption spectrum with mechanically stable. For the performance of photovoltaic device simulation, the AMPS-1D (Analysis of Microelectronic and Photonic Structures-one dimensional) have been used. The essential absorbance parameters, such as band gap, defect density, thickness, doping concentration, and operating temperature have been used. Furthermore, Electron transport layer (ETL) and Hole transport layer (HTL) like as, ZnO/ZnTe/ZnSe/ZnS/CdS have been investigated and calculated efficiencies are 25.3/24.2/24.4/18.1/22.5%, respectively. Additionally, for calculation of photovoltaic efficiency, the Spectroscopic Limited maximum Efficiency (SLME) metric has been used and computed efficiency is 28.37% at room temperature with 300 nm thickness. The present research offers a new perspective; which is of great impact as far as enhancement of the quality of crystallization of perovskite-based on the tin and involving the improvement of the performance of non-toxic perovskite solar cells (PSCs).
Highly absorptive and mechanically stable double perovskites Cs2SnI6and Cs2SnKrI6 Yashaswi Soni, Rohit Agrawal, Sanjay Pachori, Akash Shukla, Ajay Singh Verma Physica Scripta, 2022 Numerous double perovskites have demonstrated their astonishing potential in several optoelectronic and optical communication areas. Cs2SnI6 has also attracted attention because of its unique vacancy-ordered structure. However, Cs2SnI6 fitted them as good absorbing material still we have attempted to dope Kr atom at the vacancy site to intensify absorption. Herein, we have enumerated the structural, electronic, optical, mechanical and thermoelectric properties of Cs2SnI6 and Cs2SnKrI6. All these physical properties have been computed using density functional theory based Wien2K simulation code. Cs2SnKrI6 exhibits the indirect band gap of ∼ 1.36 eV and direct band gap of ∼ 1.37 eV. Cs2SnI6 and Cs2SnKrI6 both are optically active in visible and near-infrared regions with high absorption. The optical conductivity and power factor are also increased to a substantial level after doping. We have studied the elastic properties to examine the mechanical stability of these materials. We have found B/G ratio of 2.64 and 2.07 for Cs2SnI6 and Cs2SnKrI6 respectively, which demonstrates the ductile nature. After getting these constructive results, we have concluded that power conversion efficiency will also stimulate up to a great extent by doping.
Fundamental Physical Properties of Nontoxic Tin-Based Formamidinium FASnX3 (X = I, Br, Cl) Hybrid Halide Perovskites: Future Opportunities in Photovoltaic Applications Sanjay Pachori, Rohit Agarwal, Bhanu Prakash, Sarita Kumari, Ajay Singh Verma Energy Technology, 2022 To analyze potential alternatives, the fundamental physical properties such as structural, electronic, optical, elastic, thermoelectric, and thermodynamic parameters of tin‐based formamidinium FASnX 3 (X = I, Br, Cl) hybrid halide perovskites by using density functional theory are investigated. The calculated results indicate that these compounds exhibit analogous band gap, considerable thermal and elastic stability, and notable optical properties with high dielectric constant and absorption coefficient, significant hole, and electron conductive behavior. The present research work shows as good absorbers for perovskite solar cells, adding to the validity of FP‐LAPW (full‐potential linearized augmented plane wave) methods, simultaneously enhancing the understanding of these practical hybrid perovskite materials. It may be believed that this study will be of a lot of credit for experimentalists for synthesis and characterization of these materials and will be done experimentally in future times due to the very good properties of photovoltaic applications.
An Investigation into a Grid-Linked Solar-Wind Hybrid Electricity-Internet of Things System Sanjay Pachori, Rashid Khan 2022 International Conference on Futuristic Technologies Incoft 2022, 2022 The design and development of a hybrid power generating system for rural electrification, as well as the simplicity of monitoring all power generation from individual units and load monitoring utilising IoT, are the main topics of this article. In order to lessen reliance on the grid, the entire hardware system is powered by employing solar PV and wind systems. This project has a number of features, including dualaxis solar panel rotation, Wi-Fi-based remote control monitoring, temperature, humidity, and inverter sensing. Utilizing generated power for rural electrification at any remote locations is the main benefit of HRES. The technology is straightforward: a wind turbine converts mechanical energy into electrical energy, producing output voltage, which is then converted from AC to DC by an AC to DC converter or rectifier. This hybrid power generation system can be used as a grid-connected unit or rooftop self-power generation unit Solar panels and a wind turbine are used in the project. Where solar PV cells are used to harvest solar energy, heat radiation energises the solar cells, causing a chemical reaction that result in the generation of a unit of charge. The usage of an inverter is a cutting-edge technology that converts a DC supply to an AC source. Electrical appliances receive this AC’s supply. Depending on the load and demand requirements, many configurations can be used to obtain the O/p.
Planning for Grid Expansion and Maintaining Reliability in the Context of Electricity Storage Dinesh Singh, Sanjay Pachori 2022 International Conference on Futuristic Technologies Incoft 2022, 2022 Human welfare depends greatly on electricity, which also has a major impact on a nation’s economic growth. Researchers are focusing on enhancing power availability, quality, and dependability in response to electricity concerns. To resolve the issue of energy lack, this mission has raised the expectation to incorporate environmentally friendly power (RE) into power organizations. However, intermittent sources of RE supply and variable shifts in demand over time have created a high risk for sustaining system dependability in terms of giving consumers an appropriate supply. While not another source of electricity, an energy storage system (ESS) has been shown to be efficient and practical in addressing the aforementioned problems. The evolution of ESS technologies is thus thoroughly reviewed in this study, along with the advantages and practical uses of these technologies. To better comprehend this study, the idea of reliability in power systems is also studied.
Mechanically stable with highly absorptive formamidinium lead halide perovskites [(HC(NH2)2PbX3; X = Br, Cl]: Recent advances and perspectives Sanjay Pachori, Rohit Agarwal, Akash Shukla, Upasana Rani, Ajay Singh Verma International Journal of Quantum Chemistry, 2021 Abstract Full potential‐linear augmented plane wave method with two exchange‐correlation potentials Perdew–Burke–Ernzerhof‐generalized gradient approximation and Becke–Johnson have been used to investigate structural, electronic, optical, transport and mechanical anisotropy of formamidinium lead halides (FAPbX 3 ; X = Br, Cl). This computational exploration shows that these materials have a direct band gap, high absorption coefficients and the stability of the compound has been tested using the enthalpy of formation, and elastic stability criteria of the elastic constants. The persistent hybridization of s states of Pb and p states of Br/Cl in valence band contribute significantly in the structural stability. The calculated band gap is 2.26/2.84 eV for FAPbBr 3 /FAPbCl 3 and are in concurrence with the experimental and other theoretical studies. As higher absorption promotes higher emissions, optical properties with the peaks of dielectric function spectra with high energy region, and higher absorption peaks show the significant future for these materials to be used in color light‐emitting diode. Parameters of elastic properties like Bulk modulus, Young's modulus, Pugh's ratio and Poisson's ratio show that these have ductile nature and may be deposited as thin films, which is a significant feature in photovoltaic applications. Moreover, electronic transport properties have been calculated within the constant relaxation time approximation. This provided following observations: (a) Seebeck coefficient are noted to decrease with increasing temperature, (b) electrical conductivity are nearly constant within the whole temperature range, (c) thermal conductivity increased with increasing temperature, and (d) power factor and figure of merits are increasing with increasing temperature, and at a given electron and hole concentration (10 18 –10 19 cm −3 ). The figure of merit signifies that these materials may also be used as thermoelectric devices. These computational observations hereby are of paramount importance for future integrated applications.
Fundamental theoretical design of Na-ion and K-ion based double antiperovskite X6SOA2 (X = Na, K; A = Cl, Br and I) halides: Potential candidate for energy storage and harvester Upasana Rani, Yashaswi Soni, Peeyush Kumar Kamlesh, Sanjay Pachori, Ajay Singh Verma International Journal of Energy Research, 2021 Production of energy and its storage has become the main concern at the present time. Global environmental issues and the rising demand for a powering system of portable electronic devices as well as zero gaseous emission vehicles triggers research towards high energy and high voltage systems. Although Li-ion batteries have conquered the portable electronic market, yet its limited availability, high cost and safety issues have led to the search its alternatives. Na-ion and K-ion batteries may turn out to be a promising candidate for storage devices as they are cheaper and have higher energy density as compared to Li metals. We have proposed a fundamental theoretical design based on cubic double antiperovskite structure X6SOA2 (X = Na, K; A = Cl, Br and I) by full-potential augmented plane wave (FP-LAPW) method as implemented in the WIEN2k code within the density functional theory (DFT). We have calculated structural, electronic, optical, elastic, and thermodynamic properties and may be concluded that these materials are mechanically, dynamically, and thermally stable and have profound characteristics in high UV energy range. As these double antiperovskites have been studied for the very first time, this study may unfold a new vista for more comprehensive experimental and theoretical investigations for the search for non-toxic, eco-friendly and cheaper energy storage devices.
An emerging high performance photovoltaic device with mechanical stability constants of hybrid (HC(NH2)2PbI3) perovskite Monika, Sanjay Pachori, Sarita Kumari, Ajay Singh Verma Journal of Materials Science Materials in Electronics, 2020 Here in, we present the extensive analysis of the parameters associated with structural, electronic, optical and mechanical properties of HC(NH2)2PbI3 or FAPbI3 (FA = Formamidinium) by using full potential linearized augmented plane wave method (FP-LAPW) within framework on the density functional theory. The band structure shows that FAPbI3 has a direct band gap (1.44 eV) at the symmetry point R (0.5, 0.5, 0.5) and are in best agreement with experimental data. The strong hybridization of s orbitals of Pb and p orbitals of I in valance band plays an important role in the structural stability. From the mechanical constants, we have observed that this is ductile in nature and perfect use for photovoltaic applications. Further, FAPbI3 photovoltaic device has been prepared and device parameters have discussed for ZnO, ZnS, ZnSe, ZnTe and CdS buffer layers. The calculated results for FAPbI3 thin layer solar cell show maximum efficiency (20.48% and 20.77%) with ZnS and CdS buffer layers respectively. The proposed results further validate the prospects of methylammonium (MA) free perovskites and it would be persistent and consistent with the flexible substratum. These are the main features of commercialization perovskite solar cells. Thus, promoting the evolution of cubic FAPbI3, for achieving high performance-based optoelectronic devices and will pave a new path in solar cell industry.
RECENT SCHOLAR PUBLICATIONS
A-Site Gold-Halide Perovskites AuGeX3 (X= Cl, Br, I): A First-Principles Study for Photovoltaics Applications S Pachori Journal of the Indian Chemical Society, 102581 , 2026 2026
An efficient and stable lead-free organic–inorganic tin iodide perovskite for photovoltaic device: Progress and challenges S Pachori, R Agrawal, BL Choudhary, AS Verma Energy Reports 8, 5753-5763 , 2022 2022 Citations: 33
First-principles calculations for fundamental and spectroscopic screening of hybrid perovskite (HC (NH2) 2PbI3) formamidinium lead iodide S Pachori, R Agrawal, A Shukla, AS Verma Materials Chemistry and Physics 287, 126149 , 2022 2022 Citations: 11
Highly absorptive and mechanically stable double perovskites Cs 2 SnI 6 and Cs 2 SnKrI 6 Y Soni, R Agrawal, S Pachori, A Shukla, AS Verma Physica Scripta 97 (5), 055821 , 2022 2022 Citations: 11
Fundamental Physical Properties of Nontoxic Tin‐Based Formamidinium FASnX 3 (X = I, Br, Cl) Hybrid Halide Perovskites: Future Opportunities in Photovoltaic … S Pachori, R Agarwal, B Prakash, S Kumari, AS Verma Energy Technology 10 (2), 2100709 , 2022 2022 Citations: 27
Mechanically stable with highly absorptive formamidinium lead halide perovskites [(HC(NH 2 ) 2 PbX 3 ; X = Br, Cl]: Recent advances and perspectives S Pachori, R Agarwal, A Shukla, U Rani, AS Verma International Journal of Quantum Chemistry 121 (15), e26671 , 2021 2021 Citations: 28
Fundamental theoretical design of Na‐ion and K‐ion based double antiperovskite X 6 SOA 2 (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 2021 Citations: 66
An emerging high performance photovoltaic device with mechanical stability constants of hybrid (HC (NH2) 2PbI3) perovskite S Pachori, S Kumari, AS Verma Journal of Materials Science: Materials in Electronics 31 (20), 18004-18017 , 2020 2020 Citations: 41
MOST CITED SCHOLAR PUBLICATIONS
Fundamental theoretical design of Na‐ion and K‐ion based double antiperovskite X 6 SOA 2 (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 2021 Citations: 66
An emerging high performance photovoltaic device with mechanical stability constants of hybrid (HC (NH2) 2PbI3) perovskite S Pachori, S Kumari, AS Verma Journal of Materials Science: Materials in Electronics 31 (20), 18004-18017 , 2020 2020 Citations: 41
An efficient and stable lead-free organic–inorganic tin iodide perovskite for photovoltaic device: Progress and challenges S Pachori, R Agrawal, BL Choudhary, AS Verma Energy Reports 8, 5753-5763 , 2022 2022 Citations: 33
Mechanically stable with highly absorptive formamidinium lead halide perovskites [(HC(NH 2 ) 2 PbX 3 ; X = Br, Cl]: Recent advances and perspectives S Pachori, R Agarwal, A Shukla, U Rani, AS Verma International Journal of Quantum Chemistry 121 (15), e26671 , 2021 2021 Citations: 28
Fundamental Physical Properties of Nontoxic Tin‐Based Formamidinium FASnX 3 (X = I, Br, Cl) Hybrid Halide Perovskites: Future Opportunities in Photovoltaic … S Pachori, R Agarwal, B Prakash, S Kumari, AS Verma Energy Technology 10 (2), 2100709 , 2022 2022 Citations: 27
First-principles calculations for fundamental and spectroscopic screening of hybrid perovskite (HC (NH2) 2PbI3) formamidinium lead iodide S Pachori, R Agrawal, A Shukla, AS Verma Materials Chemistry and Physics 287, 126149 , 2022 2022 Citations: 11
Highly absorptive and mechanically stable double perovskites Cs 2 SnI 6 and Cs 2 SnKrI 6 Y Soni, R Agrawal, S Pachori, A Shukla, AS Verma Physica Scripta 97 (5), 055821 , 2022 2022 Citations: 11
A-Site Gold-Halide Perovskites AuGeX3 (X= Cl, Br, I): A First-Principles Study for Photovoltaics Applications S Pachori Journal of the Indian Chemical Society, 102581 , 2026 2026
