Results 81 to 90 of about 18,272 (254)

Scalable training of graph convolutional neural networks for fast and accurate predictions of HOMO-LUMO gap in molecules. [PDF]

J Cheminform, 2022
Choi JY, Zhang P, Mehta K, Blanchard A, Lupo Pasini M.   +4 more
europepmc   +1 more source

Fluorinated Deep Eutectic Gel Electrolytes with Simultaneously Enhanced Mechanical Strength and Ionic Conductivity for Solid‐State Lithium Metal Batteries

Advanced Materials, EarlyView.
The synergistic integration of rigid polyacrylamide (PAM) and flexible poly(N,N‐dimethylacrylamide) (PDMA) phases offers exceptional toughness to suppress lithium dendrites, simultaneously enhancing mechanical strength and ionic conductivity. ABSTRACT Gel polymer electrolytes for lithium‐metal batteries face an inherent trade‐off between mechanical ...
Hao Long, Yuhao Liang, Ting He, Xueming Chen, Zimo Huang, Hao Chen, Shanqing Zhang   +6 more
wiley   +1 more source

Computational and Experimental Evaluation of the Acid Corrosion Inhibition of Carbon Steel by 7-Methyl-2 Phenylimidazo[1,2-α]Pyridine

International Journal of Electrochemical Science, 2013
A newly synthesized 7-methyl-2-phenylimidazo[1,2-α]pyridine (MPP), was investigated as corrosion inhibitor of carbon steel in 1.0 M HCl solution using weight loss measurements, polarization and electrochemical impedance spectroscopy (EIS) methods ...
A. Anejjar, A. Zarrouk, R. Salghi, D. Ben Hmamou, H. Zarrok, S.S. Al-Deyab, M. Bouachrine, B. Hammouti, N. Benchat   +8 more
doaj   +1 more source

Charge‐Encoded Sidechains Enable Deterministic Ion Ingress and Memory Retention in Organic Electrochemical Synaptic Transistors

Advanced Materials, EarlyView.
Organic electrochemical synaptic transistors based on sidechain‐engineered conjugated polyelectrolytes reveal that cationic sidechains enable efficient volumetric ion penetration and dense backbone doping, leading to enhanced transconductance and long‐term synaptic retention.
Haim Kwon, Jihyeon You, Chaeyeon Park, Dong Gue Roe, Ji Hyun Jung, Jeong Ho Cho, Han Young Woo   +6 more
wiley   +1 more source

Solvent-induced local environment effect in plasmonic catalysis. [PDF]

Nanoscale Adv, 2023
Le T, Wang B.
europepmc   +1 more source

Alternant conjugated oligomers with tunable and narrow HOMO–LUMO gaps as sustainable nanowires

RSC Advances, 2013
Novel nanowire technologies encompass the use of metals and crystals with a high electric transport potential and superior charge-collection properties. However, nanowires built on metals such as cadmium, gallium-arsenide and similar alloys present serious environmental and health risks. The use of carbon is a far more environmentally friendly solution
Sergio Manzetti, Tian Lu
openaire   +1 more source

Origin of Dark Current Robustness in Photomultiplication Organic Photodetectors Enabled by Ionic Conjugated Electron‐Blocking Layers

Advanced Materials, EarlyView.
Ionic conjugated polyelectrolyte electron‐blocking layers enable photomultiplication organic photodetectors with dark current robustness up to −10 V and external quantum efficiencies exceeding 3000%. Fowler–Nordheim tunneling, interfacial dipole, trap density of states, and noise analyses reveal how ionic conjugated polyelectrolytes suppress electron ...
Yelim Kang, Min Hun Jee, Shuai Zhang, Sang Heon Lee, Jung Min Ha, Xingchao Zhao, Xiaoling Ma, Huiseong Shin, Changhwan Shin, Soonyong Lee, Fujun Zhang, Jae Won Shim, Han Young Woo   +12 more
wiley   +1 more source

Interaction of NH_3 gas on α-MoO_3 nanostructures — a DFT investigation

Condensed Matter Physics, 2017
The structural stability, electronic properties and NH_3 adsorption properties of pristine, Ti, Zr and F substituted α-MoO_3 nanostructures are successfully studied using density functional theory with B3LYP/LanL2DZ basis set. The structural stability of
V. Nagarajan, R. Chandiramouli
doaj   +1 more source

Protein Corona Formation on Soft Nanocarriers Under Biomimetic Circulatory Flow

Advanced Materials Interfaces, EarlyView.
A biomimetic venous circulation system is developed to study protein corona formation on soft nanocarriers under physiological shear. Liposomes, PLGA nanoparticles, and lipid‐polymer hybrid nanoparticles acquire largely shared but material‐dependent protein coronas that alter surface properties and suppress cellular uptake, highlighting the importance ...
Anamarija Nikoletić, Dominik Simon Müller, Timon Flathmann, Jakob Steuer, Evangelos Natsaridis, Chiara Candino, Abdullah Kahraman, Oya Tagit   +7 more
wiley   +1 more source

3-Azafluorenone Derivatives with Small HOMO–LUMO Gaps, Allowing Visible-Light Absorption

Chemistry – An Asian Journal
A versatile synthetic strategy for 3-azafluorenone derivatives was developed. The strategy enabled efficient access to previously inaccessible structural analogs. Crucially, tert-butyl protection of ketocarboxylic acid intermediates significantly improved isolated yields and enabled the incorporation of electron-donating, electron-withdrawing, and π ...
Toshimichi Kobayashi, Yuki Itabashi, Kento Iwai, Tsuyoshi Inoue, Kei Ohkubo, Haruyasu Asahara   +5 more
openaire   +2 more sources