Results 211 to 220 of about 24,331 (288)

Beyond Electrostatics: Anion‐π+ Orbital Hybridization Underpins High‐Performance Chloride Storage in Poly(arylamine) Organic Cathodes

Advanced Science, EarlyView.
The fundamental nature of anion storage in p‐type organic cathodes is elucidated using rigid poly(arylamine) frameworks. This study reveals a hybrid covalent‐ionic mechanism for anion‐π+ interactions, driven by synergistic orbital hybridization and electrostatic attraction.
Tiantian She, Jiena Weng, Jie Wang, Qiao Xi, Yangyang Zhang, Zijie Zhang, Zongqiong Lin, Wei Huang   +7 more
wiley   +1 more source

Comparative investigation of uridine and Hachimoji RNA base interaction with single-walled carbon nanotube. [PDF]

J Mol Model
Alangari M.
europepmc   +1 more source

Concentration‐Driven Li+ Solvation Engineering with TDMAP‐Based Porphyrin Additives for Dendrite‐Free Li Metal Batteries

Advanced Science, EarlyView.
The electrolyte engineering of introducing tetrakis(4‐N, N‐dimethylaminophenyl)porphyrin (TDMAP) is designed to modulate Li+ solvation structure and solid electrolyte interphase, where the interaction with PF₆− anions is altered (Li+–NMe2–PF₆−). Consequently, the cells with optimal additive concentration achieve high Coulombic efficiency (∼99%), and ...
Pooria Afzali, Jian Wang, Sergio Rodriguez, Jin‐Hyun Chang, Luca Magagnin, Maximilian Fichtner   +5 more
wiley   +1 more source

Benchmarking physics-inspired machine learning models for transition metal complexes with diverse charge and spin states.

Digit Discov
Cho Y, Briling KR, Calvino Alonso Y, Laplaza R, Corminboeuf C.   +4 more
europepmc   +1 more source

Effect of π-spacer moieties coupled to a porphyrin/PC70BM donor-acceptor for promising organic photovoltaic properties: a DFT study. [PDF]

RSC Adv
Iqbal MMA, Hussain F, Javeed H, Hassan T, Hussain R.   +4 more
europepmc   +1 more source

Selenophene π‐Bridge Enables Balanced Ambipolar Transport in High‐Performance Organic Electrochemical Transistors

Advanced Science, EarlyView.
We synthesized a high‐performance balanced ambipolar OECT polymer, P(gTDPPSe), via selenophene π‐bridge engineering. The selenophene π‐bridge enhances backbone planarity and optimizes the energy levels for doping, enabling high and balanced p/n‐type transconductance‐a key factor for high‐gain complementary inverters.
Guichuan Zhu, Yueping Lai, Jiaxing Pu, Jianhua Chen, Liang‐Wen Feng   +4 more
wiley   +1 more source

Electrolyte Design for Simultaneous Interfacial Stabilization in Si||NCM811 Full Cells

Advanced Science, EarlyView.
A dual‐additive electrolyte (DAEL) system was optimized to regulate interfacial reactions in both Si anode and the NCM811 cathode. DAEL suppresses gas evolution and degradation, enabling stable interphases. These synergistic effects enhance electrochemical stability and extend battery cycle life in high‐energy lithium‐ion cells.
Seo Yun Jang, Kyu Hong Lee, Juhyoung Kim, Dong Wook Kim, Kyu Hyoung Lee, Do Youb Kim, Se‐Hee Kim   +6 more
wiley   +1 more source

DFT study on tunable electronic and adsorption properties of poly(vinyl alcohol)/copper oxide/graphene oxide hybrid nanostructures. [PDF]

Sci Rep
Ibrahim A, El Aal MA, El-Zahed H, Mabied AF.   +3 more
europepmc   +1 more source

Semi‐Transparent Organic Photodiodes with Near‐Infrared Detection Fabricated by Inkjet Printing

Advanced Electronic Materials, EarlyView.
This work shows the inkjet printing of semi‐transparent and opaque organic photodiodes that enable light detection in the near‐infrared regime. Their transparency and high detection speed make them ideal for applications in soft robotics, wearable devices, and light communication systems.
Luis Arturo Ruiz‐Preciado, Peter Krebsbach, Mervin Seiberlich, Gerardo Hernandez‐Sosa   +3 more
wiley   +1 more source

Halogen-dependent electronic regulation of reactivity and acetylcholinesterase recognition in halomethyl acetates: a predictive DFT-docking framework. [PDF]

J Comput Aided Mol Des
Dahham Abed Abed M, M Saeed Younus Tahhan O, Muhsin Mohammed Youns Fto A, Kebiroğlu MH, Bulut N.   +4 more
europepmc   +1 more source