620.11
Materials & Energy
Batteries, catalysts, photovoltaics and new matter.
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CchemRxivAarXiv
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battery electrolyte materials
perovskite solar cell efficiency
620.11
Batteries, catalysts, photovoltaics and new matter.
Drawer contents
Filled from
Search threads
battery electrolyte materials
perovskite solar cell efficiency
Xi Liu, Wenxi Fang, Ken Perlin
We analyze the integration of quantum optical phenomena, such as cavity quantum electrodynamics (CQED), Fabry Perot resonances, and strong light-matter coupling, into the design and engineering of next generation photovoltaic systems. We examine how these phenomena can be harnessed through photonic structures including…
H. Laltlanmawii, Lalrem Kima, Mahabur Rahman, Md. Ferdous Rahman + 6 more
Lead-free double perovskites are among the rapidly developing next-generation solar cell technologies, providing the required low toxicity, stability, as well as high optoelectronic potential. So far, experimentally prepared lead-free perovskite solar cell devices are reported to have low power conversion efficiency…
Dibakar Datta
The discovery of next-generation energy-storage materials is increasingly limited by the complexity of the underlying design problem rather than by computational capability alone. Porous transition-metal oxides represent a particularly challenging class of battery materials because their performance emerges from…
Neda Nasiri, Seyed Mahdi Mastoor, Amirhosein Ahmadkhan Kordbacheh
The combinatorial design space of multilayer perovskite solar cells is vast, yet exhaustive experimental or computational screening of all possible material combinations remains impractical. Here, we integrate SCAPS-1D device simulations with machine learning to systematically explore 125 device architectures…
P. Dhariwal, D. Prakash, K. D. Verma, A. Kumari + 2 more
Herein, the fundamental physical characteristics like structural, electronic, optical parameters of the Ca$_3$PX$_3$ (X = F, Cl, Br, I) materials have been investigated for their potential optoelectronic applications, particularly for solar cells and related devices. To the crystallographic investigations, Ca$_3$PI$_3$…
Jubair Hossan Abir, Tauhidur Rahman, S. S. B. Pallab, Md. Sharear Aman + 2 more
In this study, the structural, mechanical, electronic, optical, and thermoelectric properties of the novel lead-free halide double perovskite series beta2SnGeX6 (beta = K, Rb; X = Cl, Br, I) are systematically investigated using density functional theory (DFT). Calculated formation energies, Tolerance factors, and…
Abderrahime Sekkat, Shiling Dong, Jenny Baker, Matt Burnell + 3 more
As photovoltaics (PVs) scale from one to multiple terawatts over the next decade, ensuring sustainable deployment is urgently required. Crystalline silicon (c-Si) PVs, the current industry standard, will generate an estimated 160 million tonnes of waste by 2050, and there remains complex technoeconomic challenges…
Akash Dasgupta, Robert D. J. Oliver, Manuel Kober-Czerny, Charlie H. G. Nicholls + 4 more
Machine learning and computational inference, coupled with experimental data, promise to significantly accelerate our rate of learning in most scientific disciplines. In this study, we develop tools that connect microscopic observations to macroscopic device behaviour, a capability that is essential for accelerating…
Eric Jianfeng Cheng, Min Hong, Zhiquan Zeng, Chuanyu Liu + 21 more
Solid electrolytes (SEs) are central to next-generation metal batteries, yet their discovery remains constrained by fragmented data, limited transferability of simulations, and slow experimental iteration. Unlike catalysis, where surface reactivity dominates, SEs require simultaneous optimization of bulk ion transport…
Yueming Wang, Nan Sun, Chris Dreessen, Gaosheng Huang + 3 more
Perovskite-silicon tandem technology has exceeded the single junction theoretical efficiency limit. However, there is still distance to the thermodynamic limit mainly caused by the fill factor. This work presents a methodology to illustrate the mechanisms of FF loss in perovskite-Si monolithic tandem solar cells. Apart…
Arpan Sur, Kawshik Nath, Ahmed Zubair
Nature-inspired hyperuniform disorder offers a promising route to broadband light trapping in ultrathin perovskite solar cells by avoiding narrowband, illumination-sensitive responses commonly associated with periodic nanophotonic textures. Here, we introduce a nature-inspired ingenious hyperuniform nanohole…
Ruiqi Wu, JJ Acton, Shirui Wang, Alex Ganose
Chalcogenide perovskites are an emerging class of photovoltaic absorbers offering stable, lead-free structures and promising optoelectronic properties. To date, the literature on chalcogenide perovskites has focused primarily on fully inorganic systems such as \ce{BaZrS3}. This contrasts with the halide perovskites…
Zeping Chen, Ruda Jian, Sachin Sigdel, Guoping Xiong + 2 more
Accurate prediction of lithium-ion battery state of health (SOH) is essential for reliable energy storage operation. However, purely data-driven models may generalize poorly across cycling protocols and produce physically implausible behavior during long-term extrapolation. We developed a physics-informed…
Denys Butenko, Mustafa Khan, Liusuo Wu, Jinlong Zhu
In this review, from crystallographic symmetry to amorphous local polyhedra arrangement and combinations, we examine inorganic solid state electrolytes through the lens of structure property relationships, with oxides, sulfides, and halides representing three major framework chemistries. Halide solid electrolytes and…
Guillermo Martínez-Denegri, Christiane Becker
Perovskite-based solar cells have undergone rapid improvements over the last decade enabling highest power conversion efficiencies of single-junction and multi-junction devices. The implementation of nano- or micro-textures has played a major role in this development due to their ability to minimize reflection losses…
Zhuohan Li, Gerbrand Ceder
Electrochemically redox-active halide (eREAL) materials are an emerging class of materials that combine high Li-ion conductivity with transition-metal redox activity, making them promising candidates for cathode or catholyte applications. As a redox-active catholyte, they could significantly increase the energy density…
N P Vikas, Ranjit K Pradhan, Somdutta Mukherjee, Udai P Singh + 3 more
Lead poisoning and notorious ambient instability in lead-based halide perovskites pave the way for the exploration of alternative materials for affordable and efficient solar cell fabrication. An important prerequisite to this end is the optoelectronic evaluation of the proposed material. Here we report, optoelectronic…
Jiyoon Kim, Chuhong Wang, Aayush R. Singh, Tyler Sours + 5 more
The demand for safe, high-energy-density batteries has spotlighted halide solid-state electrolytes, which offer the potential for enhanced ionic mobility, electrochemical stability, and interfacial deformability. Accelerating their discovery requires extensive molecular dynamics, which has been increasingly enabled by…
Gift Modekwe, Qiugang Lu
Physics-informed neural networks (PINNs) have emerged as a powerful tool for solving nonlinear partial differential equations (PDEs), including battery electrochemical models. They typically en-force conservation laws within the loss function to ensure physically consistent solutions. Tradi-tional numerical methods…
Caio M. Miliante, Brian D. Adams, Drew Higgins, Oleg Rubel
Rechargeable aqueous zinc-ion batteries (RAZIBs) attract considerable scientific and commercial interest for deployment in grid-scale energy storage due to higher safety and lower manufacturing cost when compared to lithium-ion batteries. However, currently studied cathode materials suffer from severe capacity fade…
Qian Du, Mark M. Sullivan, James E. Saal, Florian Huber
This study presents an iterative AI-guided workflow that accelerates graphite-based anode development by improving both formulation feasibility and process robustness. Sequential learning via AI/ML-guided multiobjective inverse design for anode optimization was implemented using the Citrine Platform. Starting from a…
Dereje Bekele Tekliye, Achinthya Krishna Bheemaguli, Gopalakrishnan Sai Gautam
Calcium batteries (CBs) are an attractive post-Li-ion technology, offering the appeal of Ca's natural abundance and high volumetric energy density. However, practical realization of CBs remains limited by the scarcity of positive electrode (cathode) materials that support reversible Ca$^{2+}$ (de)intercalation under…
Jayashree Pati, P. Senthilkumar, Deepak Seth, Riya Gulati + 5 more
We report the electrochemical investigation and study the diffusion kinetics of boron doped Na$_{0.66}$Mn$_{0.8}$Fe$_{0.2}$O$_{2}$ (B-NMFO) cathode materials for sodium-ion batteries. Notably, the B-NMFO cathode exhibits improved specific capacity of 163 mAh g$^{-1}$ as compared to 133 mAhg$^{-1}$ at 0.1~C for the NMFO…