Review on Magnetism in Catalysis: From Theory to PEMFC Applications of 3d Metal Pt-Based Alloys

C Biz, J Gracia, M Fianchini - International Journal of Molecular Sciences, 2022 - mdpi.com
The relationship between magnetism and catalysis has been an important topic since the
mid-20th century. At present time, the scientific community is well aware that a full …

Magnetic and Electronic Properties of Complex Oxides from First‐Principles

M Hoffmann, A Ernst, W Hergert… - … status solidi (b), 2020 - Wiley Online Library
The theoretical treatment of complex oxide structures requires a combination of efficient
methods to calculate structural, electronic, and magnetic properties, due to special …

Correlating the three-dimensional atomic defects and electronic properties of two-dimensional transition metal dichalcogenides

X Tian, DS Kim, S Yang, CJ Ciccarino, Y Gong… - Nature materials, 2020 - nature.com
The electronic, optical and chemical properties of two-dimensional transition metal
dichalcogenides strongly depend on their three-dimensional atomic structure and crystal …

Limited Ferromagnetic Interactions in Monolayers of MPS3 (M = Mn and Ni)

C Autieri, G Cuono, C Noce, M Rybak… - The Journal of …, 2022 - ACS Publications
We present a systematic study of the electronic and magnetic properties of two-dimensional
ordered alloys, consisting of two representative hosts (MnPS3 and NiPS3) of transition metal …

Microscopic origin of magnetism in monolayer transition metal dihalides

K Riedl, D Amoroso, S Backes, A Razpopov… - Physical Review B, 2022 - APS
Motivated by the recent wealth of exotic magnetic phases emerging in two-dimensional
frustrated lattices, we investigate the origin of possible magnetism in the monolayer family of …

Exploring wide bandgap metal oxides for perovskite solar cells

SS Shin, SJ Lee, SI Seok - APL Materials, 2019 - pubs.aip.org
The heterojunction formed when wide bandgap oxides come into contact with perovskite
solar cells is essential for high efficiency as it minimizes charge leakage along with charge …

Rethinking the ill-posedness of the spectral function reconstruction—Why is it fundamentally hard and how Artificial Neural Networks can help

S Shi, L Wang, K Zhou - Computer Physics Communications, 2023 - Elsevier
Reconstructing hadron spectral functions through Euclidean correlation functions are of the
important missions in lattice QCD calculations. However, in a Källen–Lehmann (KL) spectral …

Synthesis and Magnetic Properties of the Multiferroic [C(NH2)3]Cr(HCOO)3 Metal–Organic Framework: The Role of Spin–Orbit Coupling and Jahn–Teller …

K Yananose, ER Clark, PJ Saines, P Barone… - Inorganic …, 2023 - ACS Publications
We report for the first time the synthesis of [C (NH2) 3] Cr (HCOO) 3 stabilizing Cr2+ in
formate perovskite, which adopts a polar structure and orders magnetically below 8 K. We …

Understanding intercalation compounds for sodium-ion batteries and beyond

JL Kaufman, J Vinckevičiūtė… - … of the Royal …, 2019 - royalsocietypublishing.org
Intercalation compounds are popular candidate electrode materials for sodium-ion batteries
and other 'beyond lithium-ion'technologies including potassium-and magnesium-ion …

Ferromagnetism in two-dimensional ; Tunability by hydrostatic pressure

S Ding, Z Liang, J Yang, C Yun, P Zhang, Z Li, M Xue… - Physical Review B, 2021 - APS
We studied the effect of hydrostatic pressure on the magnetic properties of the highly
anisotropic van der Waals ferromagnetic metal Fe 3 Ge Te 2 (FGT) with the field applied …