Long‐Life Regenerated LiFePO4 from Spent Cathode by Elevating the d‐Band Center of Fe
Sign Up to like & getrecommendations! Published in 2022 at "Advanced Materials"
DOI: 10.1002/adma.202208034
Abstract: A large amount of spent LiFePO4 (LFP) has been produced in recent years because it is one of the most widely used cathode materials for electric vehicles. The traditional hydrometallurgical and pyrometallurgical recycling methods are… read more here.
Keywords: band; regenerated lfp; elevating band; band center ... See more keywords
Breaking Trade‐Off between Selectivity and Activity of Nickel‐Based Hydrogenation Catalysts by Tuning Both Steric Effect and d‐Band Center
Sign Up to like & getrecommendations! Published in 2019 at "Advanced Science"
DOI: 10.1002/advs.201900054
Abstract: Abstract For selective hydrogenation of chemicals the high selectivity is always at the expense of activity and improving both selectivity and activity is challenging. Here, by chelating with p‐fluorothiophenol (SPhF)‐arrays, both steric and electronic effects… read more here.
Keywords: nickel based; hydrogenation; selectivity activity; band center ... See more keywords
Pairing d-Band Center of Metal Sites with π-Orbital of Alkynes for Efficient Electrocatalytic Alkyne Semi-Hydrogenation.
Sign Up to like & getrecommendations! Published in 2022 at "Small"
DOI: 10.1002/smll.202205845
Abstract: Electrocatalytic alkyne semi-hydrogenation has attracted ever-growing attention as a promising alternative to traditional thermocatalytic hydrogenation. However, the correlation between the structure of active sites and electrocatalytic performance still remains elusive. Herein, the energy difference (∆ε)… read more here.
Keywords: hydrogenation; semi hydrogenation; alkyne semi; electrocatalytic alkyne ... See more keywords
Tailoring the p-Band Center of NS Pair for Accelerating High-Performance Lithium-Oxygen Battery.
Sign Up to like & getrecommendations! Published in 2023 at "Small"
DOI: 10.1002/smll.202207461
Abstract: The local coordination environment of catalytical moieties directly determines the performance of electrochemical energy storage and conversion devices, such as Li-O2 batteries (LOBs) cathode. However, understanding how the coordinative structure affects the performance, especially for… read more here.
Keywords: band center; pair; battery; performance ... See more keywords
Theoretical study of oxygen adsorption energy on supported metal cluster using d-band center theory and HSAB concept
Sign Up to like & getrecommendations! Published in 2020 at "Surface Science"
DOI: 10.1016/j.susc.2020.121601
Abstract: Abstract This study estimated the oxygen adsorption energy (ΔEO ads.) for the supported precious metal (PM) clusters (Pt3, Pd3, Rh3 or Au3) on support oxides (TiO2, ZrO2, Al2O3, La2O3, BaO or K2O). The estimated ΔEO… read more here.
Keywords: center theory; band center; study; center ... See more keywords
Tailoring the d-Band Center of Double-Perovskite LaCoxNi1-xO3 Nanorods for High Activity in Artificial N2 Fixation.
Sign Up to like & getrecommendations! Published in 2021 at "ACS applied materials & interfaces"
DOI: 10.1021/acsami.1c01510
Abstract: The d-band center of a catalyst can be applied for the prediction of its catalytic activity, but the application of d-band theory for the electrocatalytic nitrogen reduction reaction (eNRR) has rarely been studied in perovskite… read more here.
Keywords: perovskite lacoxni1; double perovskite; band center; band ... See more keywords
Understanding of Correlation between Electronic Properties and Sulfur Tolerance of Pt-Based Catalysts for Hydrogen Oxidation.
Sign Up to like & getrecommendations! Published in 2022 at "ACS applied materials & interfaces"
DOI: 10.1021/acsami.1c18905
Abstract: Renewable power-derived green hydrogen distributed via natural gas networks is considered one of the viable routes to drive the decarbonization of transportation and distributed power generation, while a trace amount of sulfur impurities is one… read more here.
Keywords: oxidation; hydrogen oxidation; sulfur; band center ... See more keywords
Facile Tailoring of the Electronic Structure and the d-Band Center of Copper-Doped Cobaltate for Efficient Nitrate Electrochemical Hydrogenation.
Sign Up to like & getrecommendations! Published in 2022 at "ACS applied materials & interfaces"
DOI: 10.1021/acsami.2c04789
Abstract: Electrocatalytic nitrate reduction is an effective strategy to eliminate nitrate's environmental impact and produce high-value-added ammonia products. However, most of the current reports focus on preparation strategies of catalysts, with poor exploration of the mechanism.… read more here.
Keywords: tailoring electronic; structure; electronic structure; band center ... See more keywords
Close band center and rapid adsorption kinetics facilitate selective electrochemical sensing of heavy metal ions.
Sign Up to like & getrecommendations! Published in 2021 at "Chemical communications"
DOI: 10.1039/d1cc00735a
Abstract: Combining density functional theory calculation with experiments and kinetics simulation, a multiscale framework describing the influence of reactant-substrate interaction on electrochemical performance was proposed. It was found that the close band center and the rapid… read more here.
Keywords: close band; center rapid; band center; heavy metal ... See more keywords
Tunable d-band center of a NiFeMo alloy with enlarged lattice strain enhancing the intrinsic catalytic activity for overall water-splitting.
Sign Up to like & getrecommendations! Published in 2023 at "Nanoscale"
DOI: 10.1039/d2nr07150a
Abstract: Developing efficient bifunctional electrocatalysts for the hydrogen evolution reaction (HER) and the oxygen evolution reaction (OER) under alkaline conditions is prospective for reducing energy consumption during water electrolysis. In this work, we successfully synthesized nanocluster… read more here.
Keywords: water; band center; catalytic activity; lattice strain ... See more keywords
Anomalous band center localization in the one-dimensional Anderson model with a disordered distribution of infinite variance.
Sign Up to like & getrecommendations! Published in 2022 at "Physical review. E"
DOI: 10.1103/physreve.105.024131
Abstract: We perform a detailed numerical study of the influence of distributions without a finite second moment on the Lyapunov exponent through the one-dimensional tight-binding Anderson model with diagonal disorder. Using the transfer matrix parametrization method… read more here.
Keywords: band center; distribution infinite; one dimensional; distribution ... See more keywords