Reply to Comment on "Database for CO2 Separation Performances of MOFs Based on Computational Materials Screening"

被引：6

作者：

Altintas, Cigdem ^{[1
]}

Velioglu, Sadiye ^{[1
]}

Keskin, Seda ^{[1
]}

机构：

[1] Koc Univ, Dept Chem & Biol Engn, TR-34450 Istanbul, Turkey

来源：

ACS APPLIED MATERIALS & INTERFACES | 2019年 / 11卷 / 18期

基金：

欧洲研究理事会;

关键词：

METAL-ORGANIC FRAMEWORKS; CAPTURE;

D O I：

10.1021/acsami.9b02614

中图分类号：

TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

引用

页码：16266 / 16271

页数：6

共 26 条

[1] Quantitative Structure-Property Relationship Models for Recognizing Metal Organic Frameworks (MOFs) with High CO2 Working Capacity and CO2/CH4 Selectivity for Methane Purification [J].

Aghaji, Mohammad Zein ;

Fernandez, Michael ;

Boyd, Peter G. ;

Daff, Thomas D. ;

Woo, Tom K. .

EUROPEAN JOURNAL OF INORGANIC CHEMISTRY, 2016, (27) :4505-4511

[2] The Cambridge Structural Database: a quarter of a million crystal structures and rising [J].

Allen, FH .

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 2002, 58 (3 PART 1) :380-388

[3] Database for CO2 Separation Performances of MOFs Based on Computational Materials Screening [J].

Altintas, Cigdem ;

Avci, Gokay ;

Daglar, Hilal ;

Azar, Ayda Nemati Vesali ;

Velioglu, Sadiye ;

Erucar, Ilknur ;

Keskin, Seda .

ACS APPLIED MATERIALS & INTERFACES, 2018, 10 (20) :17257-17268

[4] High-Throughput Computational Screening of the Metal Organic Framework Database for CH4/H2 Separations [J].

Altintas, Cigdem ;

Erucar, Ilknur ;

Keskin, Seda .

ACS APPLIED MATERIALS & INTERFACES, 2018, 10 (04) :3668-3679

[5] Development and Evaluation of Porous Materials for Carbon Dioxide Separation and Capture [J].

Bae, Youn-Sang ;

Snurr, Randall Q. .

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2011, 50 (49) :11586-11596

[6]

BIOVIA Materials Studio, 2017, BIOVIA MAT STUD

[7] Energy-based descriptors to rapidly predict hydrogen storage in metal-organic frameworks [J].

Bucior, Benjamin J. ;

Bobbitt, N. Scott ;

Islamoglu, Timur ;

Goswami, Subhadip ;

Gopalan, Arun ;

Yildirim, Taner ;

Farha, Omar K. ;

Bagheri, Neda ;

Snurr, Randall Q. .

MOLECULAR SYSTEMS DESIGN & ENGINEERING, 2019, 4 (01) :162-174

[8] Computation-Ready, Experimental Metal-Organic Frameworks: A Tool To Enable High-Throughput Screening of Nanoporous Crystals [J].

Chung, Yongchul G. ;

Camp, Jeffrey ;

Haranczyk, Maciej ;

Sikora, Benjamin J. ;

Bury, Wojciech ;

Krungleviciute, Vaiva ;

Yildirim, Taner ;

Farha, Omar K. ;

Sholl, David S. ;

Snurr, Randall Q. .

CHEMISTRY OF MATERIALS, 2014, 26 (21) :6185-6192

[9] RASPA: molecular simulation software for adsorption and diffusion in flexible nanoporous materials [J].

Dubbeldam, David ;

Calero, Sofia ;

Ellis, Donald E. ;

Snurr, Randall Q. .

MOLECULAR SIMULATION, 2016, 42 (02) :81-101

[10] High-Throughput Screening of Metal-Organic Frameworks for CO2 Capture in the Presence of Water [J].

Li, Song ;

Chung, Yongchul G. ;

Snurr, Randall Q. .

LANGMUIR, 2016, 32 (40) :10368-10376

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