Results 241 to 250 of about 491,707 (327)

Toward High‐Performance Electrochemical Energy Storage Systems: A Case Study on Predicting Electrochemical Properties and Inverse Material Design of MXene‐Based Electrode Materials with Automated Machine Learning (AutoML)

open access: yesAdvanced Electronic Materials, EarlyView.
This study demonstrates PyCaret's AutoML framework for predicting the electrochemical and structural properties of MXene‐based electrodes, including intercalation voltage, capacity, and lattice constants. AutoML streamlines workflows, ranks key elemental descriptor, and enables inverse molecular formula prediction based on performance targets.
Berna Alemdag   +3 more
wiley   +1 more source

Influence of the Twist Angle and Spin–Orbit Coupling on the Interlayer Coupling and Optoelectronic Properties of MoS2/WS2 Superlattice Heterostructures

open access: yesAdvanced Electronic Materials, EarlyView.
This study employs DFT to analyze twist‐angle‐induced interlayer coupling effects in √7 MoS2/WS2 heterostructures. Compared to 2H stacking, 21.79° and 38.21° configurations exhibit weakened coupling, promoting indirect‐to‐direct bandgap transitions trend while suppressing interlayer transitions and low‐frequency Raman modes offering characterization ...
Shaofeng Wang   +5 more
wiley   +1 more source

Determining Exciton Diffusion Length in Organic Semiconductors: Unifying Macro‐ and Microscopic Perspectives

open access: yesAdvanced Energy Materials, EarlyView.
Exciton diffusion length in organic semiconductor films is determined from encounter/annihilation rates. Non‐normalized exciton densities and proper intrinsic lifetime reference avoid over‐parametrization of the fits. Monte Carlo Simulation of individual molecule‐to‐molecule hops reproduce these results (②) when matching lattice constant and hoping ...
Wenchao Yang   +12 more
wiley   +1 more source

Transport Resistance Dominates the Fill Factor Losses in Record Organic Solar Cells

open access: yesAdvanced Energy Materials, EarlyView.
Organic photovoltaics are a promising solar cell technology, but even the record devices with 20% efficiency have significant fill factor losses due to low active layer conductivities. In this Perspective, the authors describe the origin of these losses, discuss experimental methods for their quantification, and explain how to minimize them to optimize
Chen Wang   +6 more
wiley   +1 more source

Doped Zinc Oxide‐Based Piezoelectric Devices for Energy Harvesting and Sensing

open access: yesAdvanced Energy and Sustainability Research, EarlyView.
This review provides a comprehensive overview of material properties, synthesis methods, and characterization techniques of doped ZnO, emphasizing the impact of doping on its structural and functional attributes. It highlights key findings, identifies knowledge gaps, and proposes future research directions to optimize doped ZnO for energy harvesting ...
Congran Jin   +3 more
wiley   +1 more source

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