Results 71 to 80 of about 68,378 (315)

Copper‐based Materials for Photo and Electrocatalytic Process: Advancing Renewable Energy and Environmental Applications

Advanced Functional Materials, EarlyView.
Cu‐based catalysts as a cornerstone in advancing sustainable energy technologies are fully reviewed in this manuscript, highlighting their potential in photo‐ and electrocatalysis. It includes metallic copper, copper oxides, copper sulfides, copper halide perovskites, copper‐based metal–organic frameworks (MOFs), and covalent organic frameworks (COFs),
Jéssica C. de Almeida, Yanjie Wang, Thais A. Rodrigues, Paulo H. H. Nunes, Vagner R. de Mendonça, Paulo H. E. Falsetti, Leticia V. Savazi, Tao He, Alexandra V. Bardakova, Aida V. Rudakova, Jie Tian, Alexei V. Emeline, Osmando F. Lopes, Antonio Otavio T. Patrocínio, Jia Hong Pan, Caue Ribeiro, Detlef W. Bahnemann   +16 more
wiley   +1 more source

Rational Fine‐Tuning of MOF Pore Metrics: Enhanced SO2 Capture and Sensing with Optimal Multi‐Site Interactions

Advanced Functional Materials, EarlyView.
A pore tuning strategy to amplify the multi‐site MOF‐SO2 interactions is proposed to achieve an enhanced trace SO2 capture and chemiresistive sensing in highly stable isostructural DMOFs by annelating benzene rings. This work provides a facile strategy to achieve tailor‐made stable MOF materials for specific multifunctional applications.
Shanghua Xing, Abdulrahman Mohabbat, István Boldog, Jens Möllmer, Marcus Lange, Yulyan Haiduk, Tobias Heinen, Vladimir Pankov, Oliver Weingart, Christoph Janiak   +9 more
wiley   +1 more source

Illuminating the Origins of Ferroelectric‐Induced Photocurrent and Hole Lifetime Enhancement in BaTiO3 Photoanodes

Advanced Functional Materials, EarlyView.
The use of ferroelectric polarization to enhance photocatalytic and photoelectrocatalytic activity is an innovative, and increasingly studied route to improve the spatial separation of charge carriers and therefore enhance catalytic efficiency. These results demonstrate how the intrinsic properties of a ferroelectric film can extend charge carrier ...
Chloe Forrester, Adriana Augurio, Charlie Henderson, Ji‐Seon Kim, James R. Durrant, Joe Briscoe   +5 more
wiley   +1 more source

Efficient Hole Injection From Indium Tin Oxide in Quantum‐Dot Light‐Emitting Diodes

Advanced Functional Materials, EarlyView.
The realization of QLEDs‐based displays remains challenging due to the acidic surface from PEDOT:PSS. Here, an analysis is conducted by examining the degradation mechanism of PEDOT:PSS. By replacing PEDOT:PSS with 2BrCzPA, the formation of strong dipoles at the ITO/2BrCzPA SAM interfaces exhibits excellent hole injection abilities.
PeiLi Gao, Jing Jiang, Yin‐Man Song, Meng‐Wei Wang, Ting Ding, Hang Liu, Zhen Yin, Kar Wei Ng, ShuMing Chen, Shuang‐Peng Wang   +9 more
wiley   +1 more source

Molecular Simulation Analysis of Polyurethane Molecular Structure under External Electric Field

Molecules
Polyurethane (PU) materials are extensively utilized in power equipment. This paper introduces a comprehensive evaluation method that combines electromagnetics and computational chemistry based on the Density Functional Theory (DFT) to elucidate the ...
Zhiyi Pang, Shangshi Huang, Yi Li, Yiyi Zhang, Rui Qin   +4 more
doaj   +1 more source

Green Solvent Enabled Perovskite Ink for Ambient‐Air‐Processed Efficient Inkjet‐Printed Perovskite Solar Cells

Advanced Functional Materials, EarlyView.
This study explores an eco‐friendly solvent with 1,3‐dimethyl‐2‐imidazolidinone for developing perovskite ink, enhancing grain size and formation of purer phase perovskite. The inkjet‐printed perovskite solar cells demonstrated a remarkable improvement in device power conversion efficiency from 14.6% to almost 17.8%, highlighting sustainable innovation
Vinayak Vitthal Satale, Sagnik Chowdhury, Asmaa Mohamed, Do‐Hyung Kim, Sinyoung Cho, Jong‐Soo Lee, Jae‐Wook Kang   +6 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   +1 more source

Achieving Chemical Recognition, Recycling, and Circularity With Radical Nanostructures

Advanced Functional Materials, EarlyView.
Here, innovative 3D radical nanostructures based on 4,4′‐dicyano‐2,2′‐biphenylene‐fused tetrazolinyl radical, fabricated on interdigitated gold‐SiO2 hybrid surfaces are presented. They retain their magnetic properties, their morphology and size can can tune, selectively remove them from specific substrate regions using distilled water, and return the ...
Arkaprava Das, Ewa Malgorzata Nowik‐Boltyk, Tobias Junghöfer, Elke Nadler, Farzan Gity, Paul K. Hurley, Zhimin Yang, Andrzej Rajca, Francesco Tavanti, Arrigo Calzolari, Maria Benedetta Casu   +10 more
wiley   +1 more source

CARCINOGENICIDADE DE HIDROCARBONETOS POLICÍCLICOS AROMÁTICOS

Química Nova
The assessment of the carcinogenic potential of polycyclic aromatic hydrocarbons (PAH) is obtained by a principal component analysis (PCA) and quantitative structure-activity relationship (QSAR) using hydrophobic (LogP), stereo and electronic parameters (
Douglas L. Bernardo, Karina A. Barros, Renato C. Silva, Antonio C. Pavão   +3 more
doaj   +1 more source

Carcinogenicidade do carbendazim e seus metabólitos

Química Nova, 2014
The carcinogenic potential of carbendazim and its metabolites was analyzed using statistical treatment of electronic parameters obtained from DFT/ 6-311++G(d,p) and AM1 calculations.
Renato C. Silva, Karina A. Barros, Antonio C. Pavão   +2 more
doaj   +1 more source