Breaking Trade‐Off between Selectivity and Activity of Nickel‐Based Hydrogenation Catalysts by Tuning Both Steric Effect and d‐Band Center [PDF]
Advanced Science, 2019 For selective hydrogenation of chemicals the high selectivity is always at the expense of activity and improving both selectivity and activity is challenging.
Ruijie Gao +6 more
doaj +2 more sources
Solid-solution-tuned d-band center boosts alkaline hydrogen evolution
Journal of Materiomicsd-band center engineering in metal phosphide offers promising avenues to improve hydrogen evolution reaction (HER) activity through electronic modulation.
Saiya Liu +5 more
doaj +2 more sources
Rationalization of Interactions in Precious Metal/Ceria Catalysts Using the d‐Band Center Model
Angewandte Chemie - International Edition, 2013 A correlation between ceria reducibility and the precious-metal d-band center is reported for ceria-supported precious-metal catalysts. The results could provide the missing link to fully explain the occurrence of strong metal-support interaction (SMSI) and hydrogen spillover in catalysts that consist of dispersed metals in contact with reducible metal
Stan Golunski
exaly +4 more sources
A predictive descriptor for the d-band center in intermetallic alloys accelerates the design of robust molecular switches. [PDF]
Chem SciA descriptor derived from elemental parameters accurately predicts the d-band center of host metals on bimetallic surfaces, facilitating the design of robust molecular switches with high interfacial stability and switching performance.
Yang S +5 more
europepmc +4 more sources
d-Band Engineering of Layered (Fe1−xNix)3GaTe2 for Enhanced Alkaline Hydrogen Evolution by Ni-Substitutional Doping [PDF]
NanomaterialsTuning the d-band electronic structure of non-noble-metal catalysts is a central strategy for an alkaline hydrogen evolution reaction (HER), yet how composition controls the d orbital in multi-Wyckoff-site layered systems remains insufficiently ...
Xiaomin Tian +9 more
doaj +2 more sources
D-Band Channel Modeling in Data Centers and Industrial Environments
IEEE AccessThis paper presents D-band channel modeling campaigns for short-range line-of-sight (LOS) communications in representative data center and industrial environments. An accurate multipath estimation framework, exploiting measured antenna radiation patterns,
Yunqi Feng +6 more
doaj +2 more sources
Carbon EnergyLithium‐sulfur (Li‐S) batteries are promising for high‐energy‐density storage, but their performance is limited by sluggish lithium polysulfide (LiPS) conversion kinetics.
Jinzheng Yang +9 more
doaj +2 more sources
Elucidating the Influence of the d-Band Center on the Synthesis of Isobutanol [PDF]
Catalysts, 2021 As the search for carbon-efficient synthesis pathways for green alternatives to fossil fuels continues, an expanding class of catalysts have been developed for the upgrading of lower alcohols. Understanding of the acid base functionalities has greatly influenced the search for new materials, but the influence of the metal used in catalysts cannot be ...
Johannes Häusler +8 more
openaire +3 more sources
DFT study on ORR catalyzed by bimetallic Pt-skin metals over substrates of Ir, Pd and Au
Nano Materials Science, 2023 Bimetallic Pt-skin catalyst is a class of near-surface alloy (NSA) that owns a high degree of control over composition. Herein, density functional theory (DFT) is used to calculate the energetics of oxygen reduction reaction (ORR) on Pt-skin over Ir, Pd ...
Xueqiang Qi +3 more
doaj +1 more source
Tuned d-band states over lanthanum doped nickel oxide for efficient oxygen evolution reaction
Nano Materials Science, 2023 The d-band state of materials is an important descriptor for activity of oxygen evolution reaction (OER). For NiO materials, there is rarely concern about tuning their d-band states to tailor the OER behaviors.
Ziyi Xiao +9 more
doaj +1 more source