scholarly journals Targeted classification of metal–organic frameworks in the Cambridge structural database (CSD)

2020 ◽  
Vol 11 (32) ◽  
pp. 8373-8387 ◽  
Author(s):  
Peyman Z. Moghadam ◽  
Aurelia Li ◽  
Xiao-Wei Liu ◽  
Rocio Bueno-Perez ◽  
Shu-Dong Wang ◽  
...  
Keyword(s):  
Surface Chemistry ◽  
Specific Surface ◽  
Large Scale ◽  
Metal Cluster ◽  
Metal Organic Frameworks ◽  
Cambridge Structural Database ◽  
Metal Organic ◽  
Structural Database

Large-scale targeted exploration of metal–organic frameworks (MOFs) with characteristics such as specific surface chemistry or metal-cluster family has not been investigated so far.

scholarly journals Enabling efficient exploration of metal–organic frameworks in the Cambridge Structural Database

CrystEngComm ◽  
2020 ◽  
Vol 22 (43) ◽  
pp. 7152-7161 ◽  
Author(s):  
Aurelia Li ◽  
Rocio Bueno-Perez ◽  
Seth Wiggin ◽  
David Fairen-Jimenez
Keyword(s):  
Metal Organic Frameworks ◽  
Cambridge Structural Database ◽  
Metal Organic ◽  
Structural Database ◽  
Efficient Exploration

A tutorial review for mining the ever growing number of metal–organic frameworks data in the Cambridge Structural Database, for MOF scientists of all backgrounds.

scholarly journals Development of a Cambridge Structural Database Subset: A Collection of Metal–Organic Frameworks for Past, Present, and Future

2017 ◽  
Vol 29 (7) ◽  
pp. 2618-2625 ◽  
Author(s):  
Peyman Z. Moghadam ◽  
Aurelia Li ◽  
Seth B. Wiggin ◽  
Andi Tao ◽  
Andrew G. P. Maloney ◽  
...  
Keyword(s):  
Metal Organic Frameworks ◽  
Cambridge Structural Database ◽  
Metal Organic ◽  
Structural Database

scholarly journals Estudio DFT de las Propiedades Electrónicas y Reactividad Química en el Cluster de Cobre Hexaquis (mu2-Benzoato- O,O')-hexa-cobre(I)

2018 ◽  
Vol 28 (1) ◽  
Author(s):  
Jean Pierre Chavez Serrano ◽  
José Miguel Díaz R ◽  
Rocio Lizeth Valentín Carhuancho
Keyword(s):  
Metal Organic Frameworks ◽  
Cambridge Structural Database ◽  
Metal Organic ◽  
Structural Database ◽  
La Red

Los MOFs (Metal-Organic Frameworks), son una nueva clase de materiales híbridos microporosos definidos como redes extendidas, conformados por iones metálicos unidos mediante enlaces covalentes coordinados con ligandos orgánicos polifuncionales, formando estructuras en 1D, 2D y 3D. Este estudio computacional evalúa las propiedades electrónicas y reactividad química de una sección de la red metal-orgánico (MOFs) para el cobre con ligandos carboxilato (benzoato) reportado en la Cambridge Structural Database (CSD) denominado clúster de cobre hexaquis (m2-Benzoato-O,O')-hexacobre(I), con el fin de explicar el comportamiento de los sitios activos presentes en su estructura. El cálculo se realizó con el programa Q-Chem 4.0, el cual es utilizado para predicciones precisas de estructuras moleculares, reactividades y espectros vibratorios, electrónicos y de RMN, utilizando la interfaz gráfica de Spartan 14 versión 1.1.4 y el funcional de densidad hibrido B3LYP y la función base 6-31G*.

Metal organic framework based catalysts for CO2 conversion

2017 ◽  
Vol 4 (3) ◽  
pp. 345-361 ◽  
Author(s):  
James W. Maina ◽  
Cristina Pozo-Gonzalo ◽  
Lingxue Kong ◽  
Jürg Schütz ◽  
Matthew Hill ◽  
...  
Keyword(s):  
Surface Chemistry ◽  
Specific Surface ◽  
Metal Organic Framework ◽  
Metal Organic Frameworks ◽  
Co2 Conversion ◽  
Crystalline Materials ◽  
Pore Sizes ◽  
Surface Areas ◽  
Metal Organic ◽  
Specific Surface Areas

Metal organic frameworks (MOFs) are hybrid crystalline materials, exhibiting high specific surface areas, controllable pore sizes and surface chemistry.

scholarly journals Synthesis of Metal Organic Frameworks by Ball-Milling

Crystals ◽  
2020 ◽  
Vol 11 (1) ◽  
pp. 15
Author(s):  
Cheng-An Tao ◽  
Jian-Fang Wang
Keyword(s):  
Ball Milling ◽  
Large Scale ◽  
Raw Materials ◽  
Metal Organic Frameworks ◽  
Research Topic ◽  
Mass Ratio ◽  
Time Consumption ◽  
Metal Organic ◽  
Short Time ◽  
Made In

Metal-organic frameworks (MOFs) have been used in adsorption, separation, catalysis, sensing, photo/electro/magnetics, and biomedical fields because of their unique periodic pore structure and excellent properties and have become a hot research topic in recent years. Ball milling is a method of small pollution, short time-consumption, and large-scale synthesis of MOFs. In recent years, many important advances have been made. In this paper, the influencing factors of MOFs synthesized by grinding were reviewed systematically from four aspects: auxiliary additives, metal sources, organic linkers, and reaction specific conditions (such as frequency, reaction time, and mass ratio of ball and raw materials). The prospect for the future development of the synthesis of MOFs by grinding was proposed.

Large-scale simulations of CO2 diffusion in metal–organic frameworks with open Cu sites

2021 ◽  
Author(s):  
Tongan Yan ◽  
Minman Tong ◽  
Qingyuan Yang ◽  
Dahuan Liu ◽  
Yandong Guo ◽  
...  
Keyword(s):  
Large Scale ◽  
Metal Organic Frameworks ◽  
Co2 Diffusion ◽  
Metal Organic ◽  
Large Scale Simulations

Mechanochemical synthesis of three-component metal-organic frameworks for large scale production

2021 ◽  
Vol 303 ◽  
pp. 122547
Author(s):  
Tong Gao ◽  
Hui-Juan Tang ◽  
Shu-Yi Zhang ◽  
Jian-Wei Cao ◽  
Yi-Nong Wu ◽  
...  
Keyword(s):  
Mechanochemical Synthesis ◽  
Large Scale ◽  
Metal Organic Frameworks ◽  
Scale Production ◽  
Large Scale Production ◽  
Metal Organic

Large-scale computational screening of metal-organic frameworks for CH4/H2 separation

AIChE Journal ◽  
2011 ◽  
Vol 58 (7) ◽  
pp. 2078-2084 ◽  
Author(s):  
Dong Wu ◽  
Cuicui Wang ◽  
Bei Liu ◽  
Dahuan Liu ◽  
Qingyuan Yang ◽  
...  
Keyword(s):  
Large Scale ◽  
Metal Organic Frameworks ◽  
Computational Screening ◽  
Metal Organic

3D hollow cage copper cobalt sulfide derived from metal–organic frameworks for high-performance asymmetric supercapacitors

CrystEngComm ◽  
2021 ◽  
Author(s):  
Jiaqi Wang ◽  
Yiling Quan ◽  
Guoxiang Wang ◽  
Dazhi Wang ◽  
Jie Xiao ◽  
...  
Keyword(s):  
Specific Surface ◽  
Surface Area ◽  
High Performance ◽  
Solvothermal Method ◽  
Metal Organic Frameworks ◽  
Cobalt Sulfide ◽  
Large Specific Surface Area ◽  
Asymmetric Supercapacitors ◽  
Metal Organic ◽  
One Step

Metal–organic frameworks (MOFs) attracted considerable attention through their large specific surface area and excellent adjustable voids. A one-step solvothermal method is proposed herein to fabricate the 3D hollow cage copper-cobalt...

Sign in / Sign up

Export Citation Format

Share Document