High-throughput screening of hypothetical aluminosilicate zeolites for CO2 capture from flue gas

Surpassing Robeson Upper Limit for CO2/N2 Separation with Fluorinated Carbon Molecular Sieve Membranes

(2020) Zhenzhen Yang et al.   Chem

Necessity of Heteroatoms for Realizing Hypothetical Aluminophosphate Zeolites: A High-Throughput Computational Approach

(2019) Lin Li et al.   Journal of Physical Chemistry Letters

Database for CO2 Separation Performances of MOFs Based on Computational Materials Screening

(2018) Cigdem Altintas et al.   ACS Applied Materials & Interfaces

An optimal trapdoor zeolite for exclusive admission of CO2 at industrial carbon capture operating temperatures

(2018) Tao Du et al.   CHEMICAL COMMUNICATIONS

Porous Organic Frameworks-derived Porous Carbons with Outstanding Gas Adsorption Performance

(2018) Tingting Yan et al.   CHEMICAL RESEARCH IN CHINESE UNIVERSITIES

Efficient CO 2 /N 2 separation by mixed matrix membrane with amide functionalized porous coordination polymer filler

(2018) Qianqian Li et al.   CHINESE CHEMICAL LETTERS

New topology of levyne B under quasi-equilibrium conditions: A temperature-dependent in situ single crystal X-ray diffraction study

(2018) G. Cametti   MICROPOROUS AND MESOPOROUS MATERIALS

Rational Synthesis of Chabazite (CHA) Zeolites with Controlled Si/Al Ratio and Their CO2 /CH4 /N2 Adsorptive Separation Performances

(2018) Ya Guo et al.   Chemistry-An Asian Journal

Monte Carlo Potential Energy Sampling for Molecular Entropy in Zeolites

(2018) Mikkel Jørgensen et al.   Journal of Physical Chemistry C

Applications of molecular simulations for separation and adsorption in zeolites

(2017) Amira Abdelrasoul et al.   MICROPOROUS AND MESOPOROUS MATERIALS

Computational development of the nanoporous materials genome

(2017) Peter G. Boyd et al.   Nature Reviews Materials

Applications of Zeolites in Sustainable Chemistry

(2017) Yi Li et al.   Chem

Identification of High-CO2-Capacity Cationic Zeolites by Accurate Computational Screening

(2016) Hanjun Fang et al.   CHEMISTRY OF MATERIALS

Adsorbent Screening for Postcombustion CO2 Capture: A Method Relating Equilibrium Isotherm Characteristics to an Optimum Vacuum Swing Adsorption Process Performance

(2016) Maninder Khurana et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Ranking of MOF Adsorbents for CO2 Separations: A Molecular Simulation Study

(2016) Zeynep Sumer et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

CO2 Capture by Temperature Swing Adsorption: Use of Hot CO2-Rich Gas for Regeneration

(2016) Augustine Ntiamoah et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

In silico screening of 4764 computation-ready, experimental metal–organic frameworks for CO2 separation

(2016) Zhiwei Qiao et al.   Journal of Materials Chemistry A

In silico discovery of metal-organic frameworks for precombustion CO2 capture using a genetic algorithm

(2016) Y. G. Chung et al.   Science Advances

Development Trends in Porous Adsorbents for Carbon Capture

(2015) Bolisetty Sreenivasulu et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Identifying Highly Selective Metal Organic Frameworks for CH4/H2 Separations Using Computational Tools

(2015) Yasemin Basdogan et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

RASPA: molecular simulation software for adsorption and diffusion in flexible nanoporous materials

(2015) David Dubbeldam et al.   MOLECULAR SIMULATION

In silico prediction and screening of modular crystal structures via a high-throughput genomic approach

(2015) Yi Li et al.   Nature Communications

New Stories of Zeolite Structures: Their Descriptions, Determinations, Predictions, and Evaluations

(2014) Yi Li et al.   CHEMICAL REVIEWS

High-throughput computational screening of metal–organic frameworks

(2014) Yamil J. Colón et al.   CHEMICAL SOCIETY REVIEWS

Cation Gating and Relocation during the Highly Selective “Trapdoor” Adsorption of CO2 on Univalent Cation Forms of Zeolite Rho

(2014) Magdalena M. Lozinska et al.   CHEMISTRY OF MATERIALS

Criteria for Zeolite Frameworks Realizable for Target Synthesis

(2013) Yi Li et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Structure–property relationships of porous materials for carbon dioxide separation and capture

(2012) Christopher E. Wilmer et al.   Energy & Environmental Science

Evaluation of cation-exchanged zeolite adsorbents for post-combustion carbon dioxide capture

(2012) Tae-Hyun Bae et al.   Energy & Environmental Science

Predicting Large CO2 Adsorption in Aluminosilicate Zeolites for Postcombustion Carbon Dioxide Capture

(2012) Jihan Kim et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Discriminative Separation of Gases by a “Molecular Trapdoor” Mechanism in Chabazite Zeolites

(2012) Jin Shang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Unconventional, Highly Selective CO2 Adsorption in Zeolite SSZ-13

(2012) Matthew R. Hudson et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Opportunities and challenges for a sustainable energy future

(2012) Steven Chu et al.   NATURE

In silico screening of carbon-capture materials

(2012) Li-Chiang Lin et al.   NATURE MATERIALS

Development and Evaluation of Porous Materials for Carbon Dioxide Separation and Capture

(2011) Youn-Sang Bae et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Post-Combustion CO2 Capture Using Solid Sorbents: A Review

(2011) Arunkumar Samanta et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Algorithms and tools for high-throughput geometry-based analysis of crystalline porous materials

(2011) Thomas F. Willems et al.   MICROPOROUS AND MESOPOROUS MATERIALS

In silico screening of zeolite membranes for CO2 capture

(2010) Rajamani Krishna et al.   JOURNAL OF MEMBRANE SCIENCE

Transferable Force Field for Carbon Dioxide Adsorption in Zeolites

(2009) Almudena García-Sánchez et al.   Journal of Physical Chemistry C

Carbon Capture and Storage: How Green Can Black Be?

(2009) R. S. Haszeldine   SCIENCE

Amine Scrubbing for CO2 Capture

(2009) G. T. Rochelle   SCIENCE

Carbon Capture and Sequestration

(2009) S. Chu   SCIENCE

Computational Study of Brønsted Acidity of Faujasite. Effect of the Al Content on the Infrared OH Stretching Frequencies

(2008) German Sastre et al.   Journal of Physical Chemistry C

Alkali and alkaline-earth cation exchanged chabazite zeolites for adsorption based CO2 capture

(2007) Jun Zhang et al.   MICROPOROUS AND MESOPOROUS MATERIALS