Smart ligands for efficient 3d-, 4d-and 5d-metal single-molecule magnets and single-ion magnets

PS Perlepe, D Maniaki, E Pilichos, E Katsoulakou… - Inorganics, 2020 - mdpi.com
… used to design and synthesize novel crystalline molecule-based materials exhibiting useful
molecular magnetic materials [19,20]. The focus of this review is on transition-metal SMMs …

Magnetic moment is an effective descriptor for electrocatalytic nitrogen reduction reaction on two-dimensional organometallic nanosheets

D Deng, LM Yang - ACS Applied Materials & Interfaces, 2023 - ACS Publications
… Unexpectedly, the magnetic moment of the transition metal … The present study opens a
way toward the rational design of … N 2 molecule boosts the activation of the N 2 molecule and …

Ammonia synthesis using single-atom catalysts based on two-dimensional organometallic metal phthalocyanine monolayers under ambient conditions

CX Huang, G Li, LM Yang, E Ganz - ACS Applied Materials & …, 2020 - ACS Publications
… This work provides new insights into the rational design of NRR catalysts and explores … is
that the transition metal atom has both occupied and empty d orbitals and the N 2 molecule has …

Topological insulating phase in single-layer pentagonal covalent organic frameworks: a reticular design using metal phthalocyanine

HQ Pham, NN Pham-Tran - Chemistry of Materials, 2021 - ACS Publications
… and chemical functionality of the molecular building blocks, … of inorganic TIs such as
transition-metal dichalcogenides. (88) … be engineered to realize different magnetic phases (106) or …

2D conductive metal-organic frameworks for electronics and spintronics

X Song, J Liu, T Zhang, L Chen - Science China Chemistry, 2020 - Springer
… It is prevalent to design magnetic MOFs by introducing the … and magnetic behavior of metal
phthalocyanine (Pc)-based 2D … Besides the 3d transition metal centers, the implementation …

A Click Chemistry Strategy Toward Spin‐Polarized TransitionMetal Single Site Catalysts for Dynamic Probing of Sulfur Redox Electrocatalysis

W Chen, Y Yu, Y Du, Y Wang, Y Zhao, K Guo… - Advanced …, 2024 - Wiley Online Library
… Benefiting from the well-defined structure, iron phthalocyanine (FePc) is … This work provides
guidance for the design of efficient … ] According to molecular-orbital analysis, the orbital …

Harnessing Colossal Magnetic Anisotropy in Sandwiched 3d2-Metallocenes

S Nain, R Khurana, ME Ali - The Journal of Physical Chemistry A, 2022 - ACS Publications
… of several molecular magnets, rapid growth of SMM-based … (24−28) Amid d-block metal
complexes, 4d and 5d series … highest magnetic anisotropy among first-row transition metal-based

Transition metals embedded two-dimensional square tetrafluorotetracyanoquinodimethane monolayers as a class of novel electrocatalysts for nitrogen reduction …

SY Lv, G Li, LM Yang - ACS Applied Materials & Interfaces, 2022 - ACS Publications
… The combination of transition metal (TM) atoms and high electron affinity … 5d–f. As the reaction
progresses, the N–N bond length increases linearly, indicating that the inert N 2 molecules

High-throughput screening of transition-metal-atom-embedded parallel tetracyanoethylene 2D networks as single-atom electrocatalysts for ammonia synthesis and its …

D Deng, B Song, C Li, LM Yang - The Journal of Physical …, 2022 - ACS Publications
… This work will shed some light on the rational design of … ], which consists of TM (3d/4d/5d)
as active sites and TCNEs as … From Figure 1b, we can see that all of the TCNE molecules are …

Investigation of weakly hybridized magnetic molecules

EJ Sierda - 2020 - ediss.sub.uni-hamburg.de
… challenges by implementing molecules in the design of such … be overcome in order to switch
the magnetization direction. … : (1) the 3 d series of transition metal elements corresponds to a …