Results 11 to 20 of about 20,350,092 (291)

Solid-solution-tuned d-band center boosts alkaline hydrogen evolution

Journal of Materiomics
d-band center engineering in metal phosphide offers promising avenues to improve hydrogen evolution reaction (HER) activity through electronic modulation.
Saiya Liu, Wenjia Gu, Chunyang Zhang, Kejian Lu, Fei Xue, Maochang Liu   +5 more
doaj   +2 more sources

Going Beyond the d‐Band Center to Describe CO2 Activation on Single‐Atom Alloys [PDF]

Advanced Energy & Sustainability Research, 2022
The computational screening of single‐atom alloys (SAAs) is challenging owing to their complicated electronic structure compared with traditional metal or alloy catalysts and the consequent lack of an accurate and low‐cost activity descriptor to replace ...
Zhongti Sun, Zhilong Song, Wan-Jian Yin
doaj   +2 more sources

D-Band Channel Modeling in Data Centers and Industrial Environments

IEEE Access
This 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, Mamoun Guenach, Nazar Muhammad Idrees, Claude Desset, David Plets, Wout Joseph, Emmeric Tanghe   +6 more
doaj   +2 more sources

D-band center-driven photocatalyst design for CO ₂ reduction: mechanisms, modulation, and perspectives

Chemical Communications
This review contrasts strong chemical and weak non-covalent interactions for tuning the d-band center in photocatalytic CO 2 reduction, highlighting mild d-band center modulation via aggregation.
Shijie Zhao, Jie Wang, Jianghong Zhao, Pengju Yang   +3 more
openaire   +3 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, Joachim Pasel, Friederike Woltmann, Andreas Everwand, Maria Meledina, Helen Valencia, Marta Lipińska-Chwałek, Joachim Mayer, Ralf Peters   +8 more
openaire   +3 more sources

Mastering the D-Band Center of Iron-Series Metal-Based Electrocatalysts for Enhanced Electrocatalytic Water Splitting. [PDF]

Int J Mol Sci, 2022
The development of non-noble metal-based electrocatalysts with high performance for hydrogen evolution reaction and oxygen evolution reaction is highly desirable in advancing electrocatalytic water-splitting technology but proves to be challenging.
Hu J, Al-Salihy A, Zhang B, Li S, Xu P.
europepmc   +2 more sources

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, Wei Zhou, Baopeng Yang, Chengan Liao, Qing Kang, Gen Chen, Min Liu, Xiaohe Liu, Renzhi Ma, Ning Zhang   +9 more
doaj   +1 more source

Methods for describing the reactivity of transition metal nanoparticles

Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов, 2022
Using modern calculations from first principles, in this work we systematically studied the adsorption of atomic oxygen on the surface of nanoparticles of fcc metals Ag, Cu, Pd consisting of 79 atoms. Two models were considered to describe the reactivity
I.S. Zamulin, A.A. Gilubnichiy, I.V. Chepkasov, V.S. Baidyshev   +3 more
doaj   +1 more source

A predictive descriptor for the d-band center in intermetallic alloys accelerates the design of robust molecular switches. [PDF]

Chem Sci
A 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, Zhou J, Zhang Y, Cao G, Ren JC, Liu W.   +5 more
europepmc   +4 more sources

Tuning the d-Band Center of Nickel Bimetallic Compounds for Glycerol Chemisorption: A Density Functional Study. [PDF]

Molecules
The modification of catalytic activity through the use of metallic promoters is a key strategy for optimizing performance, as electronic factors play a crucial role in regulating catalytic behavior. This study explores the electronic factors behind the adsorption of glycerol (Gly) on bimetallic nickel-based compounds (Ni3X) using density functional ...
Ramos-Castillo CM, Torres-Pacheco L, Álvarez-Contreras L, Arjona N, Guerra-Balcázar M.   +4 more
europepmc   +4 more sources