Results 191 to 200 of about 58,596 (248)

In‐Operando FTIR Study to Investigate the Effect of Varying Lithium Salts on Solid Electrolyte Interface (SEI) Evolution in Lithium Metal Batteries

Advanced Science, EarlyView.
A clear correlation between electrolyte salt chemistry and Solid Electrolyte Interface (SEI) performance in lithium metal batteries is established using in operando FTIR spectroscopy. This study shows that LiTFSI instantaneously forms a robust, inorganic organic hybrid SEI (LiF, Li3N, Li2O, ROCO2Li, ROLi) that minimizes overpotential, while less ...
Samia Rahman, Rhyz Pereira, Jantakan Nedsaengtip, Vibha Kalra   +3 more
wiley   +1 more source

MoleculeFormer is a GCN-transformer architecture for molecular property prediction. [PDF]

Commun Biol
Qin M, Sun Z, Feng L, Han C, Xia J, Han L.   +5 more
europepmc   +1 more source

ML Workflows for Screening Degradation‐Relevant Properties of Forever Chemicals

Advanced Science, EarlyView.
The environmental persistence of per‐ and polyfluoroalkyl substances (PFAS) necessitates efficient remediation strategies. This study presents physics‐informed machine learning workflows that accurately predict critical degradation properties, including bond dissociation energies and polarizability.
Pranoy Ray, Andrew R. Castillo, Manoj Kolel‐Veetil, Surya R. Kalidindi   +3 more
wiley   +1 more source

Addressing model overcomplexity in drug-drug interaction prediction with molecular fingerprints. [PDF]

J Cheminform
Gil-Sorribes M, Molina A.
europepmc   +1 more source

Dynamic Covalent Networks of Molecular Clusters for Hard and Impact‐Resistant Glass with Feasible Processability

Advanced Science, EarlyView.
Molecular granular material glass is fabricated by crosslinking sub‐nm POSS clusters with dynamic borate ester bonding while the materials combine high transparency, modulus, and hardness with superior impact resistance and (re)processability, offering a promising strategy for creating robust yet highly processable organic glasses.
Haiyan Xiao, Jia‐Fu Yin, Linjie Lan, Wei Liu‐Fu, Panchao Yin   +4 more
wiley   +1 more source

Latent fingerprint recovery on submerged non-porous surfaces using phloxine B-based small particle reagent. [PDF]

Sci Rep
Kushwaha D, Kaur J, Sodhi GS.
europepmc   +1 more source

Tuning Desolvation Kinetics with Perovskite‐Type Ion‐Conductive Modulators toward Low‐Temperature Zn Metal Batteries

Advanced Science, EarlyView.
A strategy of constructing perovskite‐type ion‐conductive interphase modulation layer is proposed to break down ion‐dipole interactions of [Zn(H2O)x]2+ to promote Zn2+ desolvation and diffusion kinetics against dendrite growth and active water‐induced hydrogen evolution reactions.
Wenbin Wang, Xiaomin Cheng, Jing Zhang, Shuang Cheng, Zhenjiang Cao, Caiyin You, Yongzheng Zhang, Hao Li, Bixian Chen, Qinghua Guan, Yixiang Shi, Huihua Li, Qingbo Xiao, Hongzhen Lin, Jian Wang   +14 more
wiley   +1 more source

Browsing behavior exposes identities on the Web. [PDF]

Sci Rep
Oliveira M, Yang J, Griffiths D, Bonnay D, Kulshrestha J.   +4 more
europepmc   +1 more source

Customizing Tactile Sensors via Machine Learning‐Driven Inverse Design

Advanced Science, EarlyView.
ABSTRACT Replicating the sophisticated sense of touch in artificial systems requires tactile sensors with precisely tailored properties. However, manually navigating the complex microstructure‐property relationship results in inefficient and suboptimal designs.
Baocheng Wang, Depeng Kong, Zhiao He, Jikai Liang, Yuyao Lu, Zikang Deng, Honghe Li, Mengke Wang, M. Jamal Deen, Zhiqiu Ye, Shuyao Zhou, Huayong Yang, Honghao Lyu, Jun Chen, Kaichen Xu, Geng Yang   +15 more
wiley   +1 more source