Results 211 to 220 of about 51,498 (257)

Vibrational behaviors, piezoelectricity, spin-splitting, and carrier mobility in Janus HWSZ (Z = N, P, As) monolayers. [PDF]

RSC Adv
Kartamyshev AI, Vu TV, Lavrentyev AA, Hien ND.   +3 more
europepmc   +1 more source

Quantum Phenomena in Molecular and Biological Systems: A Decoherence‐Based Decision Framework With Falsifiable Predictions and a Failure‐Mode Taxonomy

Advanced Physics Research, EarlyView.
A physics‐grounded framework based on decoherence timescales (τ_dec vs τ_func), Markovian validity, and falsifiability criteria is applied across molecular systems to distinguish where quantum effects are necessary, marginal, or irrelevant. The analysis integrates quantum chemistry, biological quantum mechanisms, and quantum computing under a unified ...
Sarfaraz K. Niazi
wiley   +1 more source

Unraveling Charging and Discharging Processes in Organic Radical-Based Electrodes: A Hierarchical Molecular and Quantum Mechanical Approach. [PDF]

ChemSusChem
Zens C, Shillito GE, Friebe C, Kupfer S.
europepmc   +1 more source

Comprehensive DFT Analysis of FeSi and RhSi: Structural Stability, Electronic Contrast and Transport‐Optical Responses

Advanced Physics Research, EarlyView.
This comprehensive density functional theory analysis investigates the structural, electronic, optical, mechanical, and thermoelectric properties of FeSi, c‐RhSi, and o‐RhSi. Results reveal distinct electronic and optical contrasts among the materials.
Md Farhan Hassan, Shaher Azad, Md Salim Hossain, Suptajoy Barua, Md Kamruzzaman   +4 more
wiley   +1 more source

Heavy-atom functionalization promotes triplet-assisted charge-transfer exciton transport in organic cocrystals. [PDF]

Nat Commun
Xiao Y, Wei Y, Zhang M, Cai R, Liu X, Xu P, Jin S, Leng J, Tian W.   +8 more
europepmc   +1 more source

Diffusion Coefficient and Viscosity of Methyl Viologen Electrolyte Estimation Based on a Kinetic Monte Carlo Computational Approach Coupled with the Mean Square Displacement Method

Batteries &Supercaps, Volume 8, Issue 3, March 2025.
A novel and comprehensive 3D‐resolved kinetic Monte Carlo model coupled with mean square displacement analysis is introduced. This computational approach allows to explore, for the first time, the concentration and the state of charge effects on ionic diffusion coefficient and viscosity in methyl viologen‐based electrolytes used in organic redox flow ...
Jia Yu, Emmanuel Baudrin, Alejandro A. Franco   +2 more
wiley   +1 more source

Scaling of Planar Sodium‐Nickel Chloride Battery Cells to 90 cm2 Active Area

Batteries &Supercaps, Volume 8, Issue 3, March 2025.
Large planar Na β′′ alumina electrolytes are prepared by tape‐casting and die‐pressing. These ceramic electrolytes are used to prepare planar sodium‐nickel chloride cells with 90 cm2 active area, providing a high capacity of 7 Ah. Successful cell cycling is demonstrated at 300 °C at rates up to C/4 (20 mA cm−2) for a cumulative capacity of 3.6 Ah cm−2.
T. Lan, E. Svaluto‐Ferro, N. Kovalska, G. Graeber, F. Vagliani, D. Basso, A. Turconi, M. Makowska, G. Blugan, C. Battaglia, M. V. F. Heinz   +10 more
wiley   +1 more source

Comparative Study of High Voltage Spinel∥Lithium Titanate Lithium‐ion Batteries in Ethylene Carbonate Free Electrolytes

Batteries &Supercaps, Volume 8, Issue 3, March 2025.
FEC and sulfone‐based co‐solvents are investigated as EC‐free electrolytes for LNMO∥LTO cells. FEC‐containing electrolytes demonstrate enhanced electrochemical stability by stabilizing the CEI and SEI layers, mitigating transition metal migration. Conversely, sulfone electrolytes form thinner CEIs and thick, sulfur‐rich SEIs, which are less effective ...
Killian Stokes‐Rodriguez, Kaushik Jayasayee, Sidsel M. Hanetho, Jannicke Kvello, Peter P. Molesworth, Øystein Dahl, Nils Peter Wagner   +6 more
wiley   +1 more source

Modeling Acoustic Attenuation, Sound Velocity and Wave Propagation in Lithium‐Ion Batteries via a Transfer Matrix

Batteries &Supercaps, Volume 8, Issue 3, March 2025.
“A simple 1D transfer matrix model of a battery is introduced and parametrized using harvested individual cell components at 0 % and 100 % SoC. This model allows for the calculation of group velocity and attenuation. The results of the model show good agreement with measured values, highlighting increased attenuation and group velocity at the ...
Simon Feiler, Lukas Gold, Sarah Hartmann, Guinevere A. Giffin   +3 more
wiley   +1 more source

“Dead Lithium” Formation and Mitigation Strategies in Anode‐Free Li‐Metal Batteries

Batteries &Supercaps, Volume 8, Issue 3, March 2025.
Anode‐free lithium metal batteries, though promising due to their high energy density, face challenges from dead lithium formation. “Dead lithium”, disconnected from the anode, causes capacity loss, increased resistance, and safety risks. This review explores the origins of dead lithium, its impact on battery performance, and potential strategies for ...
Mozaffar Abdollahifar, Andrea Paolella
wiley   +1 more source