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Metal organic frameworks are porous materials composed of metal ions or clusters coordinated by organic molecules. As a response to applied uniaxial pressure, molecules of straight shape in the framework start to buckle. Under sufficiently…

Mesoscale and Nanoscale Physics · Physics 2021-12-10 R. Matthias Geilhufe

In metal-organic-framework (MOF) perovskites, both magnetic and ferroelectric orderings can be readily realized by compounding spin and charge degrees of freedom. The hydrogen bonds that bridge the magnetic framework and organic molecules…

Partial replacement of the organic linkers of metal-organic frameworks (MOFs) often optimizes their functionalities, however, accurate characterization of their molar ratios in many cases is challenging. This work presents a method of…

Materials Science · Physics 2025-05-13 Na Du , Miao Miao Zhao , Xintian Wang , Yan Zhao , Yang Yang , Yu Ying Zhu , Ruo Tong Wang , Peng Ren , Fei Yen

We synthesized a pure organic non-metal crystalline covalent organic framework TAPA-BTD-COF by bottom-up Schiff base chemical reaction. And this imine-based COF is stable in aerobic condition and room-temperature. We discovered that this…

Materials Science · Physics 2022-05-17 Dongge Ma , Yuhang Qian , Mingyang Ji , Jiani Li , Jundan Li , Anan Liu , Yaohui Zhu

Magnetic materials have been applied in a large variety of technologies, from data storage to quantum devices. The development of 2D materials has opened new arenas for magnetic compounds, even when classical theories discourage their…

Materials Science · Physics 2022-02-11 Carlos Mera Acosta , Elton Ogoshi , Jose Antonio Souza , Gustavo M. Dalpian

Recently, the mixed transition metal oxides of the form Li(Ni1-y-zCoyMnz)O2, have become the center of attention as promising candidates for novel battery material. These materials have also revealed very interesting magnetic properties due…

Strongly Correlated Electrons · Physics 2013-07-30 J. Magnus Wikberg , Martin Mansson , Mohammed Dahbi , Kazuya Kamazawa , Jun Sugiyama

Metal-organic frameworks (MOFs) are a class of crystalline materials with promising applications in many areas such as carbon capture and drug delivery. In this work, we introduce MOFFlow, the first deep generative model tailored for MOF…

Biomolecules · Quantitative Biology 2025-03-20 Nayoung Kim , Seongsu Kim , Minsu Kim , Jinkyoo Park , Sungsoo Ahn

In the latest experimental advances, Ni-, Co- and Cu-HAB MOFs were synthesized in 2D forms, with high electrical conductivities and capacitances as well. Motivated by these experimental advances, we employed first-principles simulations to…

Computational Physics · Physics 2018-11-05 Bohayra Mortazavi , Masoud Shahrokhi , Meysam Makaremi , Gianaurelio Cuniberti , Timon Rabczuk

We theoretically describe a mechanism of low-field linear magnetoconductivity in helical magnetic metals. Two ingredients for the mechanism in three-dimensional metals are identified to be the spin-orbit coupling and momentum-dependent…

Mesoscale and Nanoscale Physics · Physics 2022-09-28 Vladimir A. Zyuzin

Metal-organic frameworks (MOFs) can be exceptionally good catalytic materials thanks to the presence of active metal centres and a porous structure that is advantageous for molecular adsorption and confinement. We present here a…

Owing to their exceptional chemical and electronic tunability, metal-organic frameworks can be designed to develop magnetic ground states making a range of applications feasible, from magnetic gas separation to the implementation of…

Altermagnetism has recently emerged as a new class of spin compensated magnetic materials that exhibit momentum dependent spin splitting despite having zero net magnetization. The origin of these electronic signatures lies in symmetry…

Materials Science · Physics 2026-03-06 Diego López-Alcalá , Andrei Shumilin , José J. Baldoví

The combination of two-dimensional (2D) materials into vertical heterostructures has emerged as a promising path to designer quantum materials with exotic properties. Here, we extend this concept from inorganic 2D materials to 2D…

The synthesis of metal-organic frameworks (MOFs) in a monolithic morphology is a promising way to achieve the transition of this class of materials from academia to industrial applications. The sol-gel process has been widely employed to…

Materials Science · Physics 2021-10-01 Michele Tricarico , Jin-Chong Tan

Metal-organic frameworks (MOFs) are constructed from a combination of inorganic and organic units to produce materials which display high porosity, among other unique and exciting properties. MOFs have shown promise in many wide-ranging…

The kagome lattice, whose electronic valence band (VB) structure includes two Dirac bands and one flat band, offers a rich space to realise tuneable topological and strongly correlated electronic phases in two-dimensional (2D) and layered…

Strongly Correlated Electrons · Physics 2021-09-16 Dhaneesh Kumar , Jack Hellerstedt , Bernard Field , Benjamin Lowe , Yuefeng Yin , Nikhil V. Medhekar , Agustin Schiffrin

Metal-organic frameworks (MOFs) are nanoporous compounds composed of metal ions and organic linkers. MOFs play an important role in industrial applications such as gas separation, gas purification, and electrolytic catalysis. Important MOF…

Machine Learning · Computer Science 2020-11-02 Shehtab Zaman , Christopher Owen , Kenneth Chiu , Michael Lawler

Coordination polymerization leads to various metal-organic frameworks (MOFs) in which symmetrical metal nodes exposed to nano voids lead to unique physical properties and chemical functionalities. One of the challenges towards their…

Mesoscale and Nanoscale Physics · Physics 2016-11-29 Hidetsugu Shiozawa , Bernhard C. Bayer , Herwig Peterlik , Jannik C. Meyer , Wolfgang Lang , Thomas Pichler

The ability of metal-organic frameworks (MOFs) to gelate under specific synthetic conditions opens up new opportunities in the preparation and shaping of hierarchically porous MOF monoliths, which could be directly implemented for catalytic…

We present a survey of the structural and magnetic properties of submonolayer transition metal dioxides on the (001) surfaces of the heavy face-centered cubic (fcc) noble metals Ir and Pt performed by spin-averaged scanning tunneling…

Materials Science · Physics 2019-10-08 M. Schmitt , C. H. Park , P. Weber , A. Jäger , J. Kemmer , M. Vogt , M. Bode