Results 131 to 140 of about 13,060,318 (232)

Sulfide‐Based Electrolytes for All‐Solid‐State Sodium Batteries

Advanced Energy Materials, EarlyView.
This review covers the structural features and synthesis strategies of sulfide‐based solid electrolytes, as well as critical challenges related to conductivity, interfacial and moisture stability, and scaling‐up for practical application in Sodium‐based All Solid‐State Batteries.
Han Yang, Luca Weckelmann, Baolin Wu, Chih‐Long Tsai, Luc Raijmakers, Rüdiger‐A. Eichel, Anna Windmüller   +6 more
wiley   +1 more source

Fast-forward prediction of lattice Boltzmann dynamics with physics-informed neural operators. [PDF]

Nat Commun
Xue X, Ten Eikelder MFP, Gao M, Cheng X, Yang Y, He Y, Wang S, Cheng S, Hu Y, Coveney PV.   +9 more
europepmc   +1 more source

Prediction of Structural Stability of Layered Oxide Cathode Materials: Combination of Machine Learning and Ab Initio Thermodynamics

Advanced Energy Materials, EarlyView.
In this work, we developed a phase‐stability predictor by combining machine learning and ab initio thermodynamics approaches, and identified the key factors determining the favorable phase for a given composition. Specifically, a lower TM ionic potential, higher Na content, and higher mixing entropy favor the O3 phase.
Liang‐Ting Wu, Milica Zdravković, Dijana Milosavljević, Konstantin Köster, Olivier Guillon, Jyh‐Chiang Jiang, Payam Kaghazchi   +6 more
wiley   +1 more source

MXene‐Derived Highly Oriented TiN Enables Ta3N5 Photoanodes for Transmission‐Mode Bias‐Free Solar Water Splitting

Advanced Energy Materials, EarlyView.
This work reports 2D MXene‐derived TiN thin films with (111)‐preferred orientation for transparent Ta3N5 photoanodes, demonstrating effective electron transfer behavior. All‐nitride electron‐collection architecture based on MXene‐derived TiN and n‐GaN resolves a long‐standing materials bottleneck between photocarrier transport and light transmission in
Jin Wook Yang, Hee Ryeong Kwon, Young Seon Yoon, Sung Yeon Lim, Tae Hyung Lee, Jiwoo Lee, Sung Hyuk Park, Sohyeon Park, Jungwon Park, Jin Young Kim, Ho Won Jang   +10 more
wiley   +1 more source

From Top to Bottom: Manufacturing Process‐Context Aware Resolution of Energy Device Electrodes Through a 3D Diffusion Generative Model

Advanced Energy Materials, EarlyView.
The application of a generative diffusion model, enhanced with a training data augmentation pipeline retaining the manufacturing process context of electrode microstructures, leads to improved fidelity of the through‐plane tortuosity factor in the AI generated samples.
Victor Ramirez‐Camacho, Siwar Ben Hadj Ali, Maxence Desnoyers, Francisco Fernandez, Nassima Benammar, Alejandro A. Franco   +5 more
wiley   +1 more source

Phonon Transport Mechanism of Strain-Enhanced Lattice Thermal Conductivity in Penta-NiAs₂ Monolayer. [PDF]

Nanomaterials (Basel)
Zeng Y, Zheng H, Xu L, Wang W, Chen Y, Pu L, Li C, Sui H, Lan Y, Zhang H.   +9 more
europepmc   +1 more source

Ether‐Based Electrolytes and the Solvation Structure in Sodium Ion Batteries

Advanced Energy Materials, EarlyView.
Ether electrolytes enable high‐performance sodium‐ion batteries through their unique physicochemical properties, particularly distinctive solvation structures and co‐intercalation behavior. However, the localized solvation structure and its dynamic evolution during electrochemical processes remain a “black box”.
Jiaxin Ding, John T. S. Irvine
wiley   +1 more source

Insights into the Degradation Mechanism of Aqueous LiMn2O4–Cathode Interfaces by Computational Vibrational Spectroscopy

Angewandte Chemie, EarlyView.
LiMn2O4${\rm LiMn}_2{\rm O}_4$ is of high interest for sustainable energy storage and conversion. Its mixed‐valence Mn3+${\rm Mn}^{3+}$/Mn4+${\text{Mn}}^{4+}$ structure drives site‐specific behavior at aqueous interfaces, featuring proton‐generating Mn4+${\text{Mn}}^{4+}$ centers and electron‐rich Mn3+${\rm Mn}^{3+}$ sites that render the surrounding ...
K. Nikolas Lausch, Redouan El Haouari, Philipp Schienbein, Jörg Behler   +3 more
wiley   +2 more sources

Modified Ewald Summation Method for Slab Geometries: Application to Donnan Potentials, Confinement Electrostatics, and Titration Simulations. [PDF]

J Phys Chem B
Levin Y, Bakhshandeh A.
europepmc   +1 more source

Free Charge Generation in Organic Photoconversion Devices–the Impact of Electrostatic Potentials

Advanced Energy Materials, EarlyView.
Free charge generation in organic photovoltaic and photodetector devices typically requires an external driving force to separate bound excitons formed upon photoexcitation. This review details how electrostatic potentials, arising from molecular charge distributions in organic semiconductors, can impact interfacial energetic landscapes and promote ...
Emily J. Yang, Song Yi Park, Vick Y. Qiu, Ji‐Seon Kim   +3 more
wiley   +1 more source