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 …
dimensional magnetic materials to mimic the traditional structures of spintronics in …
Exfoliating biocompatible ferromagnetic Cr-trihalide monolayers
In addition to spintronics another motivation for exploring ferromagnetic two-dimensional
materials is for biomedical applications such as magnetic labeling and hyperthermia …
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 …
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
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 …
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 …
oxygen evolution reaction (OER), and oxygen reduction reaction (ORR) are highly …
Topological band engineering of Lieb lattice in Phthalocyanine-based metal–organic frameworks
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 …
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 …
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 …
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
Two-dimensional covalent organic frameworks (COFs) offer a great range of structural
flexibility via the integration of various molecular building units into periodic frameworks …
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
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 …
reaction (OER) and the oxygen reduction reaction (ORR) is of significant importance to the …