Sulfur cathodes in lithium-sulfur batteries (LSBs) suffer from the notorious "shuttle effect", low sulfur use ratio, and tardy transformation of lithium polysulfides (LiPSs), while using two-dimensional (2D) polar anchoring materials combined with single-atom catalysis is one of the promising methods to address these issues. Herein, the 3d transition metal (TM) doped 2D boron nitrides (BN), labeled as TM-BN, are studied for the anchoring and redox kinetics of LiPSs using first principles calculations. From the simulated results, the TM atom and adjacent N atoms are active adsorption sites for binding S atoms in LiPSs/S and Li atoms in LiPSs, respectively. A negative d-band center closer to the Fermi level of TM-BN is key for enhancing the binding strength of TM-S and lowering the LiS decomposition energy barrier, while it deteriorates the activity of adjacent N atoms. Fortunately, the electrolyte environment has little effect on the superiority of the TM-BN for binding polysulfides/S, guaranteeing the sturdy anchor of polysulfides/S in realistic conditions. The trade-off effect on the activities of TM and adjacent N atom sites in TM-BN for binding LiPSs highlights the excellence of Ti/V/Cr-BN as modification materials for LSB.
Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1016/j.jcis.2022.02.123 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
UV-Aged Nanoplastics Increase Mercury Toxicity in a Marine Copepod under Multigenerational Exposure: A Carrier Role.
Environ Sci Technol
January 2025
Fujian Provincial Key Laboratory for Coastal Ecology and Environmental Studies/College of the Environment & Ecology, Xiamen University, Xiamen 361102, China.
Aged plastics possess diverse interactive properties with metals compared to pristine ones. However, the role of aging for nanoplastics (NPs) in being a carrier of mercury (Hg), a common marine environmental pollutant, and their combined effects remain unclear. This study investigated the carrier effect of ultraviolet-aged NPs on Hg and the ensuing toxicity in a marine copepod under a multigenerational scenario.
View Article and Find Full Text PDFSimultaneous Copper and EDTA Ligands Recovery from Electroless Effluent with Metallic Copper and Formaldehyde.
Environ Sci Technol
January 2025
Key Laboratory of Jiangxi Province for Persistent Pollutants Prevention Control and Resource Reuse, Nanchang Hangkong University, Nanchang 330063, China.
The traditional treatment of toxic and refractory copper(II)-ethylenediaminetetraacetic acid chelate (Cu(II)-EDTA) in electroless effluents often generates hazardous waste and secondary nitrogen-containing pollutants without maximizing the resource recovery. This study demonstrates a facile strategy to simultaneously recover Cu and EDTA ligands from Cu(II)-EDTA electroless effluent with commercially available metallic Cu and formaldehyde. In this strategy, metallic Cu is used to activate formaldehyde, a prevalent yet often overlooked cocontaminant in Cu(II)-EDTA effluents, to produce highly reductive hydrogen radical (H), which in situ decomplex Cu(II)-EDTA, reduces the central Cu(II) into metallic Cu, and release EDTA ligand.
View Article and Find Full Text PDFControlled reconstruction of metal-organic frameworks coordination environment tuning as oxygen evolution electrocatalysts.
Dalton Trans
January 2025
Faculty of Metallurgical and Energy Engineering, Kunming University of Science and Technology, Kunming, China.
During the oxygen evolution reaction (OER), metal-organic framework (MOF) catalysts undergo structural reorganization, a phenomenon that is still not fully comprehended. Additionally, designing MOFs that undergo structural reconstruction to produce highly active OER catalysts continues to pose significant challenges. Herein, a bimetallic MOF (CoNi-MOF) with carboxylate oxygen and pyridine nitrogen coordination has been synthesized and its reconstruction behavior has been analyzed.
View Article and Find Full Text PDFElectronic and magnetic properties of GeP monolayer modulated by Ge vacancies and doping with Mn and Fe transition metals.
RSC Adv
January 2025
Institute of Theoretical and Applied Research, Duy Tan University Ha Noi 100000 Vietnam
In this work, Ge vacancies and doping with transition metals (Mn and Fe) are proposed to modulate the electronic and magnetic properties of GeP monolayers. A pristine GeP monolayer is a non-magnetic two-dimensional (2D) material, exhibiting indirect gap semiconductor behavior with an energy gap of 1.34(2.
View Article and Find Full Text PDFElevated Hepatic Copper Content in Porto-Sinusoidal Vascular Disorder (PSVD): Leading Down a Wrong Track.
Liver Int
February 2025
Division of Gastroenterology and Hepatology, Department of Medicine III, Medical University of Vienna, Vienna, Austria.
Background And Aims: Porto-sinusoidal vascular disorder (PSVD) is a rare vascular liver disorder characterised by specific histological findings in the absence of cirrhosis, which is poorly understood in terms of pathophysiology. While elevated hepatic copper content serves as diagnostic hallmark in Wilson disease (WD), hepatic copper content has not yet been investigated in PSVD.
Methods: Patients with a verified diagnosis of PSVD at the Medical University of Vienna and available hepatic copper content at the time of diagnosis of PSVD were retrospectively included.
Want AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!