Metal-to-Semiconductor Transition in Two-Dimensional Metal–Organic Frameworks: An Ab Initio Dynamics Perspective

2021 ◽  
Author(s):  
Zeyu Zhang ◽  
David Dell’Angelo ◽  
Mohammad R. Momeni ◽  
Yuliang Shi ◽  
Farnaz A. Shakib
Keyword(s):  
Ab Initio ◽  
Metal Organic Frameworks ◽  
Two Dimensional ◽  
Metal Organic

Quantum Mechanical Interpretation of the Ultra-Low Energy Methyl-Rotation Dynamics in Porous Metal-Organic Frameworks Probed by Low-Frequency Vibrational Spectroscopy and ab initio Simulations

2018 ◽  
Author(s):  
Qi Li ◽  
Adam J. Zaczek ◽  
Timothy M. Korter ◽  
J. Axel Zeitler ◽  
Michael T. Ruggiero
Keyword(s):  
Ab Initio ◽  
Metal Organic Frameworks ◽  
Low Frequency ◽  
Rotor Dynamics ◽  
Quantum Mechanical ◽  
Valuable Insight ◽  
Void Space ◽  
Ab Initio Simulations ◽  
Metal Organic ◽  
Insight Into

<div>Understanding the nature of the interatomic interactions present within the pores of metal-organic frameworks</div><div>is critical in order to design and utilize advanced materials</div><div>with desirable applications. In ZIF-8 and its cobalt analogue</div><div>ZIF-67, the imidazolate methyl-groups, which point directly</div><div>into the void space, have been shown to freely rotate - even</div><div>down to cryogenic temperatures. Using a combination of ex-</div><div>perimental terahertz time-domain spectroscopy, low-frequency</div><div>Raman spectroscopy, and state-of-the-art ab initio simulations,</div><div>the methyl-rotor dynamics in ZIF-8 and ZIF-67 are fully charac-</div><div>terized within the context of a quantum-mechanical hindered-</div><div>rotor model. The results lend insight into the fundamental</div><div>origins of the experimentally observed methyl-rotor dynamics,</div><div>and provide valuable insight into the nature of the weak inter-</div><div>actions present within this important class of materials.</div>

A small molecular, a big scissoring effect: sodium dodecyl sulfate working on two-dimensional metal organic frameworks

CrystEngComm ◽  
2021 ◽  
Author(s):  
Qing Luo ◽  
Zhen Ding ◽  
Huamin Sun ◽  
Zhen Cheng ◽  
Naien SHI ◽  
...  
Keyword(s):  
Sodium Dodecyl Sulfate ◽  
Active Sites ◽  
Metal Organic Framework ◽  
Metal Organic Frameworks ◽  
Sodium Dodecyl ◽  
Advanced Materials ◽  
Controlled Synthesis ◽  
Two Dimensional ◽  
Dodecyl Sulfate ◽  
Metal Organic

Ultrathin two-dimensional (2D) metal-organic framework (MOF) nanosheets are prosperous advanced materials due to their particularly thin thickness and exposed active sites. The difficulty in the controlled synthesis of 2D MOF...

Metal-Organic Framework Transistors for Dopamine Sensing

2021 ◽  
Author(s):  
Jiajun Song ◽  
Jianzhong Zheng ◽  
Anneng Yang ◽  
Hong Liu ◽  
Zeyu Zhao ◽  
...  
Keyword(s):  
Charge Transport ◽  
Transport Properties ◽  
Metal Organic Framework ◽  
Metal Organic Frameworks ◽  
High Porosity ◽  
Two Dimensional ◽  
Metal Organic ◽  
Organic Framework

Two-dimensional (2D) conductive metal-organic frameworks (MOFs) can not only inherit the high porosity and tailorability of traditional MOFs but also exhibit unique charge transport properties, offering promising opportunities for applications...

Bimetallic Two‐Dimensional Metal‐Organic Frameworks for Chemiresistive Detection of Carbon Monoxide

2021 ◽  
Author(s):  
Aylin Aykanat ◽  
Zheng Meng ◽  
Robert M. Stolz ◽  
Colin T. Morrell ◽  
Katherine A. Mirica
Keyword(s):  
Carbon Monoxide ◽  
Metal Organic Frameworks ◽  
Two Dimensional ◽  
Metal Organic
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