Results 131 to 140 of about 258,611 (317)

Exploratory evaluation supported by experimental and modeling approaches of Inula viscosa root extract as a potent corrosion inhibitor for mild steel in a 1 M HCl solution

Open Life Sciences
The corrosion of metals poses a threat to the economy, the environment, and human health due to undesirable reactions and contaminated products. Corrosion inhibitors, including natural products, can play a key role in protecting metallic materials ...
Adil Mahraz Mohamed, Salim Rajae, Loukili El Hassania, Assouguem Amine, Kara Mohammed, Ullah Riaz, Bari Ahmed, Fidan Hafize, Laftouhi Abdelouahid, Mounadi Idrissi Amine, Hammouti Belkheir, Rais Zakia, Taleb Mustapha   +12 more
doaj   +1 more source

Trace Sulfur‐Doping Boosts NiCo Heterostructured Catalyst for Selective Glycerol‐to‐Formic Acid Electroreforming

Advanced Functional Materials, EarlyView.
A sulfur‐doped Ni–Co heterostructured catalyst is rationally designed to regulate interfacial electronic and adsorption properties for selective glycerol electrooxidation. The synergistic Ni–Co active sites promote hydroxide activation and glycerol adsorption, enabling efficient formic acid production and durable hydrogen generation under continuous ...
Lingqin Shen, Jianchuan Jin, Auttaphon Chachvalvutikul, Ouardia Akdim, Graham J. Hutchings   +4 more
wiley   +1 more source

Hybrid Solar Cell/Triboelectric Nanogenerator Based on Stable Two‐Dimensional Covalent Organic Frameworks

Advanced Functional Materials, EarlyView.
This study highlights the integration of stable two‐dimensional covalent organic framework (COF) films as photoactive layers in hybrid nanoenergy devices. The results demonstrate their capacity to generate electricity under both sunny and rainy conditions, showcasing versatility and resilience.
Joab D. Guerrero, Susana Ramos‐Terrón, Salvador R. G. Balestra, José M. Malagón, David Aparicio, Lucia Velasco, Asterios Charisiadis, Dooshaye Moonshiram, Margarita Darder, Pilar Aranda, Bernd Wicklein, Gustavo de Miguel, Javier Pérez‐Carvajal, Eva M. García‐Frutos   +13 more
wiley   +1 more source

Toward Fast Proton Shuttling in Acidic Oxygen Evolution Reaction

Advanced Functional Materials, EarlyView.
This review establishes proton transfer dynamics as a descriptor governing acidic OER activity, moving beyond the kinetic constraints derived from the proton coupled electron transfer. We discuss how deprotonation governs classical mechanisms, including adsorbate evolution mechanism (AEM), lattice oxygen mechanism (LOM) and oxide path mechanism (OPM ...
Ashish Gaur, Jaeyeong Kim, Sungwook Mhin, HyukSu Han   +3 more
wiley   +1 more source

Oxidized MoS2‐Based Multifunctional Memristive Hardware for Energy‐Efficient mmWave Signal Processing and In‐Memory Matrix Multiplication

Advanced Functional Materials, EarlyView.
Thermally oxidized MoS2‐based radio‐frequency switches enable a multifunctional platform that unifies broadband RF switching and in‐memory computation. The device achieves a cutoff frequency of 33.2 THz with high energy efficiency and supports hardware‐aware signal processing.
Juho Son, Changwoo Pyo, Sungmoon Park, Yoongi Cho, Seungchan Lee, Myungsoo Kim   +5 more
wiley   +1 more source

Materials docents DFT II. Curs 2023-2024

, 2023
Material docent utilitzat per a l'explicació de l'assignatura Dret Financer i Tributari II.
Sevilla Bernabéu, Benjamín
core  

Controlled Engineering of 2D Alkali‐Iron‐Chloride Compounds and Lateral Quantum Heterostructures Within Confined Graphene Nanoreactors

Advanced Functional Materials, EarlyView.
This work presents a programmable atomic engineering strategy for 2D materials using Å‐scale nanoreactors formed by bilayer graphene (BLG) intercalation. A new class of alkali‐iron‐chloride compounds, along with lateral heterostructures composed of monolayer alkali halides and iron chlorides, is revealed.
Haiming Sun, Qiunan Liu, Yung‐Chang Lin, Mahdi Ghorbani‐Asl, Hiroki Ago, Arkady V. Krasheninnikov, Kazu Suenaga   +6 more
wiley   +1 more source

Redeployment DFT survey [PDF]

British Dental Journal, 2020
Fernando, S., Raniga, V., Cairns, M.
openaire   +2 more sources

Anion‐Exchange‐Enabled Hydrogel Electrolytes With High Zn2+ Transference for Dendrite‐Free Flexible Zinc‐Ion Batteries

Advanced Functional Materials, EarlyView.
A high‐Zn2+‐transference hydrogel electrolyte of ex‐PDADAM is developed via anion exchange at quaternary ammonium sites, achieving high Zn2+ transference number (0.86), ionic conductivity (8.10 mS cm−1), and toughness (51.25 MJ m−3). Symmetric cells are operated stably for over 2000 h, while flexible pouch cells retain 90.9% capacity after 300 cycles ...
Jung Woo Hong, Yeon Su Kim, Zuyang Hu, Hyungyu Cho, Gun Jang, Minjun Hwang, Hye Rin Park, Jun Su Kim, Ho Seok Park   +8 more
wiley   +1 more source

Electron energy-loss spectroscopy: DFT modelling and application to experiment [PDF]

, 2010
The all-electron density functional theory (DFT) code Wien2k has an established track record of modelling energy-loss near-edge structure (ELNES). The pseudopotential DFT code CASTEP can reproduce results found using Wien2k.
Seabourne, Che Royce
core