Results 141 to 150 of about 71,035 (324)

A chemical bond-based machine learning model for dipole moment: Application to dielectric properties of liquid methanol and ethanol [PDF]

Tomohito Amano, Tamio Yamazaki, Shinji Tsuneyuki   +2 more
openalex   +1 more source

Graft Copolymer‐Stabilized Liquid Metal Nanoparticles for Lithium‐Ion Battery Self‐Healing Anodes

Advanced Functional Materials, EarlyView.
This study presents a self‐healing liquid metal anode for lithium‐ion batteries, where graft copolymer‐stabilized eutectic gallium indium (EGaIn) nanoparticles enhance stability and rate performance. The fluorinated grafted copolymer forms ionic channels, preventing EGaIn aggregation and facilitating lithium‐ion migration.
Youngwoo Seo, HoYeon Kim, Guangtao Zan, Myeong‐Jun Song, Chanho Park, Jin Woo Oh, Young Hwan Kim, Song‐Gue Choi, EunAe Shin, Shengyou Li, Kaiying Zhao, Seong‐Min Bak, Cheolmin Park   +12 more
wiley   +1 more source

Self‐Reinforcing Degradation of Solution‐Processed Small‐Molecule OLEDs: Excited‐States and Molecular Interactions as Key Triggers

Advanced Functional Materials, EarlyView.
Self‐reinforcing degradation in solution‐processed small‐molecule organic light‐emitting diodes (OLEDs) arises from charge accumulation and exciton‐polaron interactions, leading to molecular aggregation and efficiency loss. This study uncovers the fundamental mechanisms behind this degradation and introduces strategic material engineering approaches ...
Eonji Cha, Junwon Jeon, Hyeon Woo Kim, Han Uk Lee, Joo Yoon Woo, Jun‐Su Yeo, Hyuk Bin Kwon, Sung Beom Cho, Tae‐Hee Han   +8 more
wiley   +1 more source

Understanding Postdeposition Treatments of Hole‐Transporting Self‐Assembling Molecules for Perovskite/Silicon Tandem Solar Cells

Advanced Functional Materials, EarlyView.
The influence of postdeposition treatments on the formation of self‐assembling (mono)layers commonly utilized as hole transport layers in perovskite‐based solar cells is thoroughly investigated. The implementation of a washing step and an annealing step at temperatures exceeding the current literature standards leads to an enhanced layer quality and ...
Jann B. Landgraf, Yashika Gupta, Adi Prasetio, Stefan Lange, Christoph Messmer, Christian Schwarz, Oliver Fischer, Sithisak Chanthalavong, Oussama Er‐raji, María B. Camarada, Stefaan De Wolf, Patricia S. C. Schulze, Anna Fischer, Stefan W. Glunz, Juliane Borchert   +14 more
wiley   +1 more source

Artificial Intelligence‐Driven Development in Rechargeable Battery Materials: Progress, Challenges, and Future Perspectives

Advanced Functional Materials, EarlyView.
AI is transforming the research paradigm of battery materials and reshaping the entire landscape of battery technology. This comprehensive review summarizes the cutting‐edge applications of AI in the advancement of battery materials, underscores the critical challenges faced in harnessing the full potential of AI, and proposes strategic guidance for ...
Qingyun Hu, Junyuan Lu, Jian Hui, Ziyuan Rao, Yang Ren, Hong Wang   +5 more
wiley   +1 more source

Enhancing Mechanical Deformability of Rigid Conjugated Polymers through Functional Additive‐Induced Persistence Length Modulation

Advanced Functional Materials, EarlyView.
This study demonstrates a molecular strategy to enhance the stretchability of conjugated polymers by incorporating plasticizing molecular additives (PMAs). PMAs reduce the persistence length and promote chain entanglement, enabling deformable thin films with preserved electrical performance. A systematic analysis combining rheology, neutron scattering,
Sein Chung, Seung Hyun Kim, Sanghyo Kim, Eunsol Ok, Byeong Jin Kim, Jimin Kim, Jiyeong Shin, Taehun Chung, Jong Dae Jang, Siyoung Lee, Boseok Kang, Kilwon Cho   +11 more
wiley   +1 more source

Semiconducting Polymer Nanoparticles as Multimodal Agents for Optical and Magnetic Resonance Imaging

Advanced Healthcare Materials, EarlyView.
Semiconducting polymer nanoparticles (SPNs) exhibit many advantageous optical and biological properties. Multimodal SPN‐based contrast agents that integrate several imaging modalities yield a wealth of information through the use of different imaging mechanisms.
Faysal A. Farah, Yu Qin, Mark A. Green, James D. E. T. Wilton‐Ely   +3 more
wiley   +1 more source

Progress of Immune‐Inducible Biomaterials for Post‐Ablation Cancers

Advanced Healthcare Materials, EarlyView.
The presence of residual tumors after ablative therapies poses a significant challenge, generally resulting in recurrence and metastases. This review offers a concise overview of immune‐inducible biomaterials from the perspective of the cancer‐immunity cycle, and how they enhance antitumor immunity through diverse mechanisms following ablative ...
Shuangshuang Zhao, Zheng Zhang, Xincai Wu, Yanwei Chen, Wenjun Li, Jiayan Bao, Xin Zhang, Baoding Chen   +7 more
wiley   +1 more source

Computational Simulations of Metal–Organic Frameworks to Enhance Adsorption Applications

Advanced Materials, EarlyView.
This review highlights the significance of molecular simulations in expanding the understanding of metal–organic frameworks (MOFs) and improving their gas adsorption applications. The historical development and implementation of molecular simulations in the MOF field are given, high‐throughput computational screening studies used to unlock the ...
Hilal Daglar, Hasan Can Gulbalkan, Gokhan Onder Aksu, Seda Keskin   +3 more
wiley   +1 more source

Theoretical screening into urea-based receptor as a promising toxic gas sensor upon SO2, NH3 and H2S

Chemical Physics Impact
The adsorption of toxic gases such as NH3, SO2, H2S, on 1,3 bis (4-nitrophenyl) urea (BNPU) was investigated via the M062X/6–311++ g (d, p) level of theory to evaluate the utility of BNPU-based gas sensors.
G.S. Gopika Krishnan, K. Muraleedharan
doaj