Two‐dimensional monolayer designs for spintronics applications

X Li, X Wu - Wiley Interdisciplinary Reviews: Computational …, 2016 - Wiley Online Library
The continuous reduction in the size of spintronic devices highly requires new low‐
dimensional magnetic materials to mimic the traditional structures of spintronics in …

Exfoliating biocompatible ferromagnetic Cr-trihalide monolayers

J Liu, Q Sun, Y Kawazoe, P Jena - Physical Chemistry Chemical …, 2016 - pubs.rsc.org
In addition to spintronics another motivation for exploring ferromagnetic two-dimensional
materials is for biomedical applications such as magnetic labeling and hyperthermia …

Two-dimensional FePc and MnPc monolayers as promising materials for SF6 decomposition gases detection: Insights from DFT calculations

Z Nie, C Wang, R Xue, G Xie, H Xiong - Applied Surface Science, 2023 - Elsevier
Research on promising materials with good performance for detecting or removing the
potent greenhouse gas sulfur hexafluoride (SF 6) is critical for environmental preservation …

Two-dimensional iron-phthalocyanine (Fe-Pc) monolayer as a promising single-atom-catalyst for oxygen reduction reaction: a computational study

Y Wang, H Yuan, Y Li, Z Chen - Nanoscale, 2015 - pubs.rsc.org
Searching for low-cost non-Pt catalysts for oxygen reduction reaction (ORR) has been a key
scientific issue in the development of fuel cells. In this work, the potential of utilizing the …

Stable multifunctional single-atom catalysts resulting from the synergistic effect of anchored transition-metal atoms and host covalent–organic frameworks

J Wang, J Wang, S Qi, M Zhao - The Journal of Physical Chemistry …, 2020 - ACS Publications
Noble-metal-free electrocatalysts for highly efficient hydrogen evolution reaction (HER),
oxygen evolution reaction (OER), and oxygen reduction reaction (ORR) are highly …

Topological band engineering of Lieb lattice in Phthalocyanine-based metal–organic frameworks

W Jiang, S Zhang, Z Wang, F Liu, T Low - Nano letters, 2020 - ACS Publications
Topological properties of the Lieb lattice, ie, the edge-centered square lattice, have been
extensively studied and are, however, mostly based on theoretical models without …

Atomic regulation to improve the sensing-performance of CoPc and NiPc monolayer toward chloromethane molecule: Insights from DFT calculations

Z Nie, R Xue, X He, G Xie, H Xiong - Surfaces and Interfaces, 2023 - Elsevier
The development of a high-performance gas sensor for efficient detection of harmful
chloromethane (CH 3 Cl) is of great importance to environmental monitoring and human …

Recent advances in computational studies of organometallic sheets: magnetism, adsorption and catalysis

G Zhu, Q Sun - Computational Materials Science, 2016 - Elsevier
The unique geometry and novel properties of graphene have tremendously motivated
scientists to explore other monolayer materials, especially those with separately distributed …

Emergence of a two-dimensional topological Dirac semimetal phase in a phthalocyanine-based covalent organic framework

X Ni, H Huang, JL Brédas - Chemistry of Materials, 2022 - ACS Publications
Two-dimensional covalent organic frameworks (COFs) offer a great range of structural
flexibility via the integration of various molecular building units into periodic frameworks …

Computational screening of transition metal-doped phthalocyanine monolayers for oxygen evolution and reduction

Y Zhou, G Gao, W Chu, LW Wang - Nanoscale Advances, 2020 - pubs.rsc.org
Rationally designing efficient, low-cost and stable catalysts toward the oxygen evolution
reaction (OER) and the oxygen reduction reaction (ORR) is of significant importance to the …