Results 171 to 180 of about 20,100 (287)

Asymmetric Multi‐Site Ion Exchange in Porous Carbon Electrodes

Advanced Energy Materials, EarlyView.
A lognormal‐distribution 2D EXSY NMR framework uncovers the full spectrum of ion dynamics in hierarchical porous carbons, bridging fast surface exchange and confined in‐pore transport—establishing structure–transport relationships for next‐generation energy storage, gas storage, and ion removal materials.
Henry R. N. B. Enninful, Marius Hermesdorf, Muhammad Abdullah Khan, Desirée Leistenschneider, Martin Oschatz, Rustem Valiullin   +5 more
wiley   +1 more source

Implicit 3D geological modeling method based on expert knowledge constraints: A case study from the Songshugang Mining District, Hengfeng County, Jiangxi Province, China. [PDF]

PLoS One
Jin W, Wu Z, Xu Z, Li H, Li B, Guo F, Zhang Z, Ma F, Li H, Lu P.   +9 more
europepmc   +1 more source

Organic Photoelectrochemical Cells Beyond Performance: Interface and Catalyst Engineering for Durability

Advanced Energy Materials, EarlyView.
Organic photoelectrochemical cells based on π‐conjugated semiconductors offer a versatile platform for solar fuel generation. This review outlines operating principles, device architectures, and key metrics, and highlights advances in p‐ and n‐type photoelectrodes, interfacial engineering, and catalyst integration.
Jaehyeong Kim, Jung Min Ha, Yeonjeong Lee, Seung Won Oh, Wangyeon Lee, Munsu Kwon, Soonyong Lee, Jin Young Kim, Han Young Woo   +8 more
wiley   +1 more source

Machine Learning Interatomic Potentials for Energy Materials: Architectures, Training Strategies, and Applications

Advanced Energy Materials, EarlyView.
Machine learning interatomic potentials bridge quantum accuracy and computational efficiency for materials discovery. Architectures from Gaussian process regression to equivariant graph neural networks, training strategies including active learning and foundation models, and applications in solid‐state electrolytes, batteries, electrocatalysts ...
In Kee Park, Saeed Pourasad, Jinhong Mun, Arunkumar Chitteth Rajan, Tae Hyeon Park, Anand Rohit, Mohammad Zafari, Tan‐Lien Pham, Eunjae Jung, Bonseung Koo, Miran Ha, Gi Beom Sim, Hyun Gyu Park, Won Woong Choi, Kwanghyeon Jo, Soohaeng Yoo Willow, David ChangMo Yang, Chang Woo Myung, Geunsik Lee, Kwang S. Kim   +19 more
wiley   +1 more source

GPIS-Based Calibration for Non-Overlapping Dual-LiDAR Systems Using a 2.5D Calibration Framework. [PDF]

Sensors (Basel)
Yu H, Zhang X, Li M, Zhuo D, Zhang P, Li M, Shi Y.   +6 more
europepmc   +1 more source

Molecular Design Strategies for High‐Voltage Organic Cathodes

Advanced Energy Materials, EarlyView.
This work proposes molecular engineering strategies for high‐voltage organic cathode materials for Li‐ion batteries: (1) increase Li‐O coordination number (CN), (2) achieve a greater increase in aromaticity upon reduction (∆Aromaticity), and (3) add an electron‐withdrawing group (EWG), through a combined experimental and computational study on reported
Sungil Hong, Alae Eddine Lakraychi, Artur Lyssenko, Abhishek Ashwin Panchal, Harshan Reddy Gopidi, Pieremanuele Canepa, Rafael Gómez‐Bombarelli, Yan Yao, Rajeev Surendran Assary   +8 more
wiley   +1 more source

CFD modeling and sensitivity‐guided design of silicon filament CVD reactors

AIChE Journal, EarlyView.
Abstract Filament‐based chemical vapor deposition (CVD) for silicon (Si) coatings is often treated as an adaptation of planar deposition. But this overlooks fundamental shifts in transport phenomena and reaction kinetics. In filament CVD, the filament acts as a substrate, heat source, and flow disruptor simultaneously. In this work, we ask: What really
G. P. Gakis, G. Loachamín‐Suntaxi, I. G. Aviziotis, E. D. Koronaki, P. P. Filippatos, G. Chatzigiannakis, S. P. A. Bordas, D. Davazoglou, A. G. Boudouvis   +8 more
wiley   +1 more source

A Study on High-Precision Dimensional Measurement of Irregularly Shaped Carbonitrided 820CrMnTi Components. [PDF]

Materials (Basel)
Gu X, Zheng D, Li J, Lu H.
europepmc   +1 more source

SigmaFormer: Augmenting transformer encoders with COSMO sigma profiles for pure component property prediction

AIChE Journal, EarlyView.
Abstract Transformer‐based molecular models pretrained on SMILES strings demonstrate strong performance in property prediction. However, these model often lack explicit integration of molecular surface charge distributions that govern intermolecular interactions such as hydrogen bonding and polarity.
Tae Hyun Kim, Silabrata Pahari, Joseph Sang‐Il Kwon   +2 more
wiley   +1 more source

Atomistic Insights into the Molecular Interactions of Rod and Cluster Shaped CdS for Photocatalytic Water Splitting. [PDF]

Molecules
Assilbekova A, Irgibaeva I, Karibayev M, Amankeldiyeva A, Piskunov S, Almas N, Baisalova G, Aldongarov A.   +7 more
europepmc   +1 more source