scholarly journals The electronic structures and magnetic properties of mixed-valence Fe-based metal–organic VNU-15 frameworks: a theoretical study from linear response DFT+U calculations

RSC Advances ◽  
2020 ◽  
Vol 10 (57) ◽  
pp. 34690-34701
Author(s):  
Diem Thi-Xuan Dang ◽  
Hieu Cao Dong ◽  
Yoshiyuki Kawazoe ◽  
Jer-Lai Kuo ◽  
Duc Nguyen-Manh
Keyword(s):  
Magnetic Properties ◽  
Electronic Structures ◽  
Linear Response ◽  
Theoretical Study ◽  
Metal Organic Framework ◽  
Mixed Valence ◽  
Metal Organic ◽  
Photocatalytic Applications ◽  
Organic Framework

The effects of DMA+ cation orientation on the electronic structures and magnetic properties of the metal–organic framework VNU-15 are investigated, and VNU-15 is proved to be a prospective material for photocatalytic applications.

Theoretical Study of Guest Molecule Doping Effect on the Electronic Structures of Metal-Organic Framework

2020 ◽  
Vol MA2020-01 (48) ◽  
pp. 2711-2711
Author(s):  
Takumi Morita ◽  
Sang-Gyu Koh ◽  
Takahiro Yamasaki ◽  
Jun Nara ◽  
Yoshinori Tanaka ◽  
...  
Keyword(s):  
Electronic Structures ◽  
Guest Molecule ◽  
Theoretical Study ◽  
Metal Organic Framework ◽  
Doping Effect ◽  
Metal Organic ◽  
Organic Framework

H3O2 Bridging Ligand in a Metal–Organic Framework. Insight into the Aqua-Hydroxo↔Hydroxyl Equilibrium: A Combined Experimental and Theoretical Study

2013 ◽  
Vol 135 (15) ◽  
pp. 5782-5792 ◽  
Author(s):  
Richard F. D’Vries ◽  
Victor A. de la Peña-O’Shea ◽  
Natalia Snejko ◽  
Marta Iglesias ◽  
Enrique Gutiérrez-Puebla ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Metal Organic Framework ◽  
Bridging Ligand ◽  
Metal Organic ◽  
Insight Into ◽  
Organic Framework

scholarly journals Synthetic Route to a Triphenylenehexaselenol-Based Metal Organic Framework with Semi-conductive and Glassy Magnetic Properties

iScience ◽  
2020 ◽  
Vol 23 (1) ◽  
pp. 100812 ◽  
Author(s):  
Yutao Cui ◽  
Jie Yan ◽  
Zhijun Chen ◽  
Weilong Xing ◽  
Chunhui Ye ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Metal Organic Framework ◽  
Synthetic Route ◽  
Metal Organic ◽  
Organic Framework

scholarly journals Metal‐Organic Framework Based on an Anthracene Tetracarboxylate Ligand and Cadmium or Cobalt: Synthesis, Structure Analysis, Stability and Magnetic Properties

2020 ◽  
Vol 5 (22) ◽  
pp. 6537-6540 ◽  
Author(s):  
Angela Aleksovska ◽  
Haldor Zaake‐Hertling ◽  
Peter Lönnecke ◽  
Benedikt Schwarze ◽  
Daniel Gräsing ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Structure Analysis ◽  
Metal Organic Framework ◽  
Metal Organic ◽  
Analysis Stability ◽  
Organic Framework
Sign in / Sign up

Export Citation Format

Share Document