Results 131 to 140 of about 62,388 (262)

The <i>H_trs-T_trs</i> Function of Phase Transition Enthalpy for Chemical Elements and Inorganic and Organic Compounds. [PDF]

ACS Phys Chem Au
Cheng Y.
europepmc   +1 more source

Programmed Interfacial Phase Separation for Spatiotemporal Fungicide Delivery via Tunable Micro/Nano Architectures

Advanced Science, EarlyView.
ABSTRACT Translating dynamic liquid‐liquid phase separation into robust solid‐state architectures remains a challenge in materials engineering. Here, we report a composition‐driven interfacial assembly strategy that couples supramolecular coacervation with metal‐phenolic coordination to engineer tunable fungicide carriers.
Rui Zhang, Tongfang Jing, Leiming He, Kaidi Cui, Yuying Song, Xuewei Mao, Lidong Cao, Lin Zhou   +7 more
wiley   +1 more source

Probing DFT Functionals in the Analysis of Enthalpy and Gibbs Free Energy: A Case Study of a Heptakis(2,6-di-O-methyl)-β-cyclodextrin Complex with a Novel Fluorinated Compound. [PDF]

Molecules
Hoelm M, Kinart Z.
europepmc   +1 more source

The Influence of Residual Ion Drift During Programming of Chip‐Integrated Nanoscale HfO2‐Based Memristive Devices

Advanced Electronic Materials, EarlyView.
1T1R‐arrays combining filamentary‐type memristors and CMOS transistors offer great potential for energy‐efficient analog hardware accelerators. Here, transient SET analysis of nanoscale HfO2 memristors integrated on 180 nm CMOS wafers is discussed.
Oliver Artner, Felix Cüppers, Seokki Son, Yang Chen, Xiaohua Liu, Christopher Bengel, Dennis Nielinger, André Zambanini, Stefan Wiefels, Stephan Menzel, Regina Dittmann, Susanne Hoffmann‐Eifert   +11 more
wiley   +1 more source

Assessment and Optimization of Force Fields for Glycine Polymorphism and Solution Properties. [PDF]

J Chem Theory Comput
Meadows JW, Cooper SJ, Miller MA, Wilson MR.   +3 more
europepmc   +1 more source

Artificial Intelligence for Fluorite Ferroelectric Materials: From Discovery to Optimization

Advanced Electronic Materials, EarlyView.
Artificial intelligence accelerates the discovery and optimization of HfO2‐based fluorite ferroelectrics by linking synthesis, structure, properties, and device performance. Machine learning, deep‐learning analysis, and AI‐driven atomistic modeling enable predictive design, dopant screening, and closed‐loop optimization toward next‐generation ...
Faizan Ali, David Lehninger, Florencio Sánchez, Ignasi Fina   +3 more
wiley   +1 more source

An Enhanced CAPE-OPEN-Based Digital Twin Platform Architecture for Chemical Processes. [PDF]

ACS Omega
Zhao J, Zhao W, Sun X, Xia L, Xiang S.
europepmc   +1 more source

Tuning Local Modulus at Liquid Metal‐Polymer Interfaces Regulates Electrocaloric Effect in Ferroelectric Nanocomposites

Advanced Electronic Materials, EarlyView.
Liquid metal nanoparticles create mechanically compliant polymer interfaces that facilitate reversible dipolar reorientation under electric fields, whereas rigid interfaces impose stronger local constraints. This soft–rigid interface comparison reveals local interfacial modulus as a key parameter for tuning electrocaloric entropy change in ...
Tian Yao, Shanyu Zheng, Binzhou Sun, Zhenhua Ma, Feiyu Zhang, Lu Yu, Qiang Li, Ruhong Luo, Feihong Du, Yifan Zhao, Yezhan Lin, Chunyu Wang, Xin Chen, Shi‐Yang Tang, Tiannan Yang, Xiaoshi Qian   +15 more
wiley   +1 more source

Consequences of Medium-Pore Zeolite Constraints for Alkene Cracking-The Case of n-Pentene. [PDF]

Angew Chem Int Ed Engl
Zhao R, Schallmoser S, Haller GL, Sanchez-Sanchez M, Lercher JA.   +4 more
europepmc   +1 more source

Degradation Mechanism of Phosphate‐Based Li‐NASICON Conductors in Alkaline Environment

Advanced Energy Materials, Volume 15, Issue 11, March 18, 2025.
The presence of water in the cathode of a Li‐air battery shifts reactions to produce LiOH, creating a corrosive, alkaline environment. This study investigates the alkaline stability of the common Li‐NASICON solid‐state conductor chemistries through a systematic experimental study combined with computational modeling to understand the degradation ...
Benjamin X. Lam, Zhuohan Li, Tara P. Mishra, Gerbrand Ceder   +3 more
wiley   +1 more source