Results 251 to 260 of about 226,730 (296)

Analysing π–π-stacking interactions in lignin nanoparticles from molecular simulations – insights and lessons learned

Klara Hackenstrass, Nil Tabudlong Jonasson, Marie Hartwig-Nair, Tomas Rosén, Sara Florisson, Malin Bergenstråhle‐Wohlert   +5 more
openalex   +2 more sources

Morphological Changes in PEDOT:PSS under Electrolytes, Dopamine, and PEG-400 Exposure: A Molecular Simulation Perspective. [PDF]

Macromolecules
G Guruge A, Makki H, Troisi A.
europepmc   +1 more source

Science‐Towards‐Technology Breakthrough in CO2 Electroreduction: Multiphysics, Multiscale, and Artificial Intelligence Insights

Advanced Materials, EarlyView.
Electrochemical CO2RR is a key technology for converting CO2 into chemicals, but there remains a gap between “laboratory science” and “engineering practice” in current research. This review establishes a multi‐scale research framework, encompassing atomic‐level characterization, microenvironment regulation, external field‐assisted optimization, and AI ...
Ping Hong, Changfan Xu, Huaping Zhao, Yong Lei   +3 more
wiley   +1 more source

High-performance adsorption of sulfamethoxazole and phenol using graphene-like carbon derived from glucose. [PDF]

Sci Rep
Lingamdinne LP, Angaru GKR, Shrestha B, Koduru JR, Karri RR.   +4 more
europepmc   +1 more source

High Charge Carrier Mobility in Non‐Conjugated 3D Covalent Organic Frameworks

Advanced Materials, EarlyView.
A non‐conjugated 3D COF constructed via boronate ester linkages from tetraphenylene and pyrene‐based monomers is reported, which exhibits a high charge carrier mobility of 14 ± 1 cm2 V−1 s−1. ABSTRACT π‐Conjugation, π–π stacking, and long‐range order play a central role in determining charge transport efficiency in organic materials.
Joaquín Almarza, Karol Strutyński, Shuai Fu, Yifan Chen, Natalia M. Padial, Isabel del Barrio Gómez, Carlos Martí‐Gastaldo, Andrei N. Khlobystov, Mischa Bonn, Hai I. Wang, Manuel Melle‐Franco, Aurelio Mateo‐Alonso   +11 more
wiley   +1 more source

NMR spectroscopic and computational analysis of <i>E</i>/<i>Z</i> isomerism in imines derived from isatin. [PDF]

RSC Adv
Gonzalez-Oñate A, Chaparro D, Quevedo R, Alí-Torres J, Flores-Gaspar A.   +4 more
europepmc   +1 more source

Role of the Recombination Zone in Organic Light‐Emitting Devices

Advanced Materials, EarlyView.
This review summarizes the critical role of the recombination zone in organic light‐emitting diodes (OLEDs). We highlight that broadening the recombination zone in OLEDs based on emissive layers with balanced charge transport and high photoluminescence quantum yields provides a promising route toward achieving both long operational lifetime and high ...
Yungui Li, Karl Leo
wiley   +1 more source

Polyetheramine-functionalized waterborne polyurethane sizing: unraveling synergistic interactions of π-π stacking, polyureas, and aromatic ethers for carbon fiber reinforcement

Xin Song, Chunfeng Li, Lei Le, Ruiwen Yu, Mingli Liu   +4 more
openalex   +1 more source

Nitrogen-doped carbon quantum dots as fluorescent sensor for doxorubicin and chlortetracycline: experimental and DFT insights. [PDF]

Nanoscale Adv
Lotfy S, Aboelnga MM, Moawed EA, Elbayoumy E.   +3 more
europepmc   +1 more source

LEAD: Literature Enhanced Ab Initio Discovery of Nitride Dusting Layers for Enhanced Tunnel Magnetoresistance and Lower Resistance Magnetic Tunnel Junctions

Advanced Materials, EarlyView.
Magnetic tunnel junctions (MTJs) using MgO tunnel barriers face challenges of high resistance‐area product and low tunnel magnetoresistance (TMR). To discover alternative materials, Literature Enhanced Ab initio Discovery (LEAD) is developed. The LEAD‐predicted materials are theoretically evaluated, showing that MTJs with dusting of ScN or TiN on ...
Sabiq Islam, William S. Rogers, Chen‐Yu Hu, Ming‐Yuan Song, Xinyu Bao, Shehrin Sayed, Jean Anne C. Incorvia   +6 more
wiley   +1 more source