Deciphering the Stability Mechanism of Cu Active Sites in CO2 Electroreduction via Suppression of Antibonding Orbital Occupancy in the O 2p-Cu 3d Hybridization

Y Sun, X Wang, H Zhang, X Gao, X Wang, S Wang… - ACS …, 2024 - ACS Publications
Copper-based catalysts, hallmarked by their ideal C–C coupling energy facilitated by the
symbiotic presence of Cu+ and Cu0 active sites, are poised to revolutionize the selective …

Structural, magnetic and magnetocaloric properties of hexagonal MnCoGe-based thin films

Y Xiao, F Qian, X Gao, R Zhao, X Miao, H Yang - Ceramics International, 2023 - Elsevier
The characteristic size of the magnetocaloric materials in magnetic refrigerators,
thermomagnetic regenerators and energy harvesters is usually down to micrometer and …

The influence of hydrostatic pressure and annealing conditions on the magnetostructural transitions in MnCoGe

JH Chen, T Poudel Chhetri, CK Chang… - Journal of Applied …, 2021 - pubs.aip.org
In this work, the phase transitions of stoichiometric MnCoGe alloys were studied by
systematically varying the annealing conditions and applying hydrostatic pressure. First …

A DFT Study of the Ammonia Decomposition Mechanism on the Electronically Modified Fe3N Surface by Doping Molybdenum

DP Pathak, A Kumar… - The Journal of …, 2023 - ACS Publications
Ammonia is a potential carbon-free carrier for the on-site delivery of hydrogen and is critical
in the development of a hydrogen economy. Designing a noble metal-free catalyst for the …

Theoretical analysis of magnetic properties and the magnetocaloric effect using the Blume-Capel model

S Oliveira, RHM Morais, JP Santos… - arXiv preprint arXiv …, 2022 - arxiv.org
This work investigates the magnetic properties and the magnetocaloric effect in the spin-1
Blume-Capel model. The study was carried out using the mean-field theory from the …

Doped as a high-performance electrode material for rechargeable -ion batteries

Y Li, K Wu, H Luo, M Li, L Wang, K Sun, Y Zheng - Physical Review Applied, 2024 - APS
Two-dimensional (2D) vanadium disulfide (VS 2) can serve as a universal host for reversible
intercalation and deintercalation of alkali and alkaline earth metal ions. However, its …

Fine tuning of Mn/Co vacancies for optimized magnetocaloric performance in MnCoGe alloys

R Li, L Wang, P Miao, C Xie, X Tang, G Tan - Journal of Magnetism and …, 2024 - Elsevier
As a family of rare-earth-free magnetocaloric materials, MnCoGe-based alloys have
attracted intensive attention in the past few years. In this study, we reveal that the deficiency …

Study of the magnetocaloric effect and magnetic properties in the spin-3/2 Blume–Capel model

GBB Nascimento, VTP Vieira, RHM Morais… - Journal of Magnetism …, 2023 - Elsevier
In this study, the magnetic properties and the magnetocaloric effect of the spin-3/2 Blume–
Capel model were explored through the Mean Field Theory, developed through a variational …

Magnetic and magnetocaloric properties of Ni-doped MnCoGe alloy

S Sakthivel, A Kumar, R Uralath Dhanavardhanan… - Applied Physics A, 2023 - Springer
In this work, a Ni-doped MnCoGe alloy has been synthesized by doping 4 wt% of Ni in place
of Ge. The room temperature XRD pattern shows that the alloy has crystallized in two …

Influence of Cr Substitution on Structure, Magnetic Properties, and Magnetocaloric Effect of MnCo1−xCrxGe Alloys

X Sun, Y Huang, S Zhao, D Ding - JOM, 2023 - Springer
The crystalline structure, magnetic properties, and magnetocaloric effect (MCE) of MnCo1− x
Cr x Ge (x= 0.01, 0.03, 0.05, 0.07) alloys have been investigated using x-ray powder …