CO2 Adsorption in Azobenzene Functionalized Stimuli Responsive Metal−Organic Frameworks Runhong Huang,† Matthew R. Hill,‡,§ Ravichandar Babarao,*,‡,∥ and Nikhil V. Medhekar*,†
J. Phys. Chem. C 2016, 120, 16658−16667. [Link]
Metal-Organic-Framework-Coated Optical Fibers as Light-Triggered Drug Delivery Vehicles Marziyeh Nazari , Marta Rubio-Martinez , Gerard Tobias , Jorge Pérez Barrio, Ravichandar Babarao , Fatemeh Nazari , Kristina Konstas , Benjamin W. Muir , Stephen F. Collins , Anita J. Hill , Mikel C. Duke , and Matthew R. Hill *
Adv. Funct. Mater. 2016, 26, 3244–3249[Link]
Direct Synthesis of Hierarchically Porous Metal−Organic Frameworks with High Stability and Strong Brønsted Acidity: The Decisive Role of Hafnium in Efficient and Selective Fructose Dehydration Zhigang Hu,† Yongwu Peng,† Yongjun Gao,† Yuhong Qian,† Shaoming Ying,† Daqiang Yuan,‡ Satoshi Horike,§ Naoki Ogiwara,§ Ravichandar Babarao,∥ Yuxiang Wang,† Ning Yan,† and Dan Zhao*,†
Chem. Mater. 2016, 28, 2659−2667.[Link]
A QCM-based ‘on–off’ mechanistic study of gas adsorption by plasmid DNA and DNA–[Bmim][PF6] construct† Sarvesh Kumar Soni,‡*a K. M. Mohibul Kabir,‡a Ravichandar Babarao,bc Victoria E. Coyle,a Sampa Sarkar,c Ylias M. Sabri*a and Suresh K. Bhargava*a
RSC Adv., 2016, 6, 81318–81329.[Link]
Harnessing Lewis acidic open metal sites of metal–organic frameworks: the foremost route to achieve highly selective benzene sorption over cyclohexane† Soumya Mukherjee,a Biplab Manna,a Aamod V. Desai,a Yuefeng Yin,b Rajamani Krishna,c Ravichandar Babarao*d and sujit K. Ghosh*a
Chem. Commun., 2016, 52, 8215–8218.[Link]
Facile stabilization of cyclodextrin metal–organic frameworks under aqueous conditions via the incorporation of C60 in their matrices† Haiqing Li,*a Matthew R. Hill,a Runhong Huang,ab Christian Doblin,a Seng Lim,a Anita J. Hill,a Ravichandar Babaraoa and Paolo Falcaro*ac
Chem. Commun., 2016, 52, 5973–5976.[Link]
Defect engineering of UiO-66 for CO2 and H2O uptake – a combined experimental and simulation study† Weibin Liang,a Campbell J. Coghlan,b Florence Ragon,a Marta Rubio-Martinez,c Deanna M. D’Alessandro*a and Ravichandar Babarao*c
Dalton Trans., 2016, 45, 4496–4500.[Link]
Defects in metal–organic frameworks: a compromise between adsorption and stability?† A. W. Thornton,*a R. Babarao,*a A. Jain,a,b F. Trousseletc and F.-X. Coudertc
Dalton Trans., 2016, 45, 4352–4359.[Link]
A New Structural Family of Gas-Sorbing Coordination Polymers Derived from Phenolic Carboxylic Acids Keith F. White,[a] Brendan F. Abrahams,*[a] Ravichandar Babarao,[b] A. David Dharma,[a] Timothy A. Hudson,[a] Helen E. Maynard-Casely,[c] and Richard Robson*[a] Chem. Eur. J. 2015, 21, 18057 – 18061.[Link]
Porous Aromatic Frameworks Impregnated with Lithiated Fullerenes for Natural Gas Purification Afsana Ahmed,†,‡ Ravichandar Babarao,‡ Runhong Huang,§ Nikhil Medhekar,§ B. D. Todd,† Matthew R. Hill,‡ and Aaron W. Thornton*,‡
J. Phys. Chem. C 2015, 119, 9347−9354.[Link]
Lead(II) uptake by aluminium based magnetic framework composites (MFCs) in water† Raffaele Ricco,*a Kristina Konstas,a Mark J. Styles,a Joseph J. Richardson,a Ravichandar Babarao,a Kiyonori Suzuki,b Paolo Scopecec and Paolo Falcaro*a
J. Mater. Chem. A, 2015, 3, 19822–19831.[Link]
Tuning the cavities of zirconium-based MIL-140 frameworks to modulate CO2 adsorption† Weibin Liang,a Ravichandar Babarao,b Tamara L. Churcha and Deanna M. D’Alessandro*a
Chem. Commun., 2015, 51, 11286–11289.[Link]
The first example of a zirconium-oxide based metal–organic framework constructed from monocarboxylate ligands† Weibin Liang,a Ravichandar Babarao,b Michael J. Murphya and Deanna M. D’Alessandro*a
Dalton Trans., 2015, 44, 1516–1519.[Link]
Porous Aromatic Frameworks Impregnated with Fullerenes for Enhanced Methanol/Water Separation Afsana Ahmed,‡,† Zongli Xie,† Kristina Konstas,† Ravichandar Babarao,† B. D. Todd,‡ Matthew R. Hill,† and Aaron W. Thornton*,†
dx.doi.org/10.1021/la503547n| Langmuir 2014, 30, 14621−14630.[Link]
Phosphoric Acid Loaded Azo (−NN−) Based Covalent Organic Framework for Proton Conduction Suman Chandra,†,† Tanay Kundu,†,† Sharath Kandambeth,† Ravichandar BabaRao,‡ Yogesh Marathe,†
Shrikant M. Kunjir,† and Rahul Banerjee*,†
dx.doi.org/10.1021/ja502212v | J. Am. Chem. Soc. 2014, 136, 6570−6573.[Link]
Exploiting stable radical states for multifunctional properties in triarylamine-based porous organic polymers† Carol Hua,a Aditya Rawal,b Thomas B. Faust,a Peter D. Southon,a Ravichandar Babarao,c James M. Hookb and Deanna M. D’Alessandro*a
J. Mater. Chem. A, 2014, 2, 12466–12474 .[Link]
Does functionalisation enhance CO2 uptake in interpenetrated MOFs? An examination of the IRMOF-9 series† Ravichandar Babarao,*a Campbell J. Coghlan,b Damien Rankine,b Witold M. Bloch,b
Gemma K. Gransbury,b Hiroshi Sato,c Susumu Kitagawa,c Christopher J. Sumby,b Matthew R. Hill*a and Christian J. Doonan*b
| Chem. Commun., 2014, 50, 3238–3241. [Link]
A route to drastic increase of CO2 uptake in Zr metal organic framework UiO-66† Cher Hon Lau,* Ravichandar Babarao and Matthew R. Hill*
Chem. Commun., 2013, 49, 3634–3636. [Link]
Postcombustion CO2 Capture in Functionalized Porous Coordination Networks Ravichandar Babarao,*,† Yuqi Jiang,‡ and Nikhil V. Medhekar*,‡
dx.doi.org/10.1021/jp409361j | J. Phys. Chem. C 2013, 117, 26976−26987.[Link]
Strategies toward Enhanced Low-Pressure Volumetric Hydrogen Storage in Nanoporous Cryoadsorbents Afsana Ahmed,†,‡ Aaron W. Thornton,*,‡ Kristina Konstas,‡ Sridhar Kumar Kannam,†Ravichandar Babarao,‡ B. D. Todd,† Anita J. Hill,§ and Matthew R. Hill‡
dx.doi.org/10.1021/la403864u | Langmuir 2013, 29, 15689−15697.[Link]
Chemically Stable Multilayered Covalent Organic Nanosheets from Covalent Organic Frameworks via Mechanical Delamination Suman Chandra,† Sharath Kandambeth,† Bishnu P. Biswal,† Binit Lukose,‡ Shrikant M. Kunjir,§ Minakshi Chaudhary,† Ravichandar Babarao,∥ Thomas Heine,‡ and Rahul Banerjee*,†
dx.doi.org/10.1021/ja408121p | J. Am. Chem. Soc. 2013, 135, 17853−17861.[Link]
Microwave-Assisted Solvothermal Synthesis and Optical Properties of Tagged MIL-140A Metal−Organic Frameworks Weibin Liang,† Ravichandar Babarao,‡ and Deanna M. D’Alessandro*,†
dx.doi.org/10.1021/ic4024234 | Inorg. Chem. 2013, 52, 12878−12880. [Link]
Post-synthetic Structural Processing in a Metal−Organic Framework Material as a Mechanism for Exceptional CO2/N2 Selectivity Witold M. Bloch,† Ravichandar Babarao,‡ Matthew R. Hill,‡ Christian J. Doonan,*,† and Christopher J. Sumby*,†
dx.d>oi.org/10.1021/ja4032049 | J. Am. Chem. Soc. 2013, 135, 10441−10448.[Link]
Enhancing selective CO2 adsorption via chemical reduction of a redox-active metal–organic framework† Chanel F. Leong,a Thomas B. Faust,a Peter Turner,a Pavel M. Usov,a Cameron J. Kepert,a Ravichandar Babarao,b Aaron W. Thorntonb and Deanna M. D’Alessandro*a
Dalton Trans., 2013, 42, 9831–9839.[Link]
Computer-Aided Design of Interpenetrated Tetrahydrofuran-Functionalized 3D Covalent Organic Frameworks for CO2 Capture Ravichandar Babarao, Radu Custelcean,* Benjamin P. Hay, and De-en Jiang*
dx.doi.org/10.1021/cg3009688 | Cryst. Growth Des. 2012, 12, 5349−5356. [Link]
Nitrogen-Doped Mesoporous Carbon for Carbon Capture − A Molecular Simulation Study Ravichandar Babarao,† Sheng Dai,†,‡ and De-en Jiang*,†
dx.doi.org/10.1021/jp301450m | J. Phys. Chem. C 2012, 116, 7106−7110. [Link]
Hysteretic carbon dioxide sorption in a novel copper(II)-indazole-carboxylate porous coordination polymerw Chris S. Hawes,z*a Ravichandar Babarao,b Matthew R. Hill,b Keith F. White,c Brendan F. Abrahamsc and Paul E. Kruger*a
Chem. Commun., 2012, 48, 11558–11560. [Link]
Understanding the High Solubility of CO2 in an Ionic Liquid with the Tetracyanoborate Anion Ravichandar Babarao,† Sheng Dai,†,‡ and De-en Jiang*,†
dx.doi.org/10.1021/jp205399r | J. Phys. Chem. B 2011, 115, 9789–9794.[Link]
Effect of Pore Topology and Accessibility on Gas Adsorption Capacity in ZeoliticImidazolate Frameworks: Bringing Molecular Simulation Close to Experiment
Ravichandar Babarao,† Sheng Dai,†,‡ and De-en Jiang*,†
dx.doi.org/10.1021/jp1117294 | J. Phys. Chem. C 2011, 115, 8126–8135. [Link]
Functionalizing Porous Aromatic Frameworks with Polar Organic Groups for High-Capacity and Selective CO2 Separation: A Molecular Simulation Study Ravichandar Babarao,† Sheng Dai,†,‡ and De-en Jiang*,†
dx.doi.org/10.1021/la104827p | Langmuir 2011, 27, 3451–3460. [Link]
Molecular simulations for energy, environmental and pharmaceutical applications of nanoporous materials: from zeolites, metal–organic frameworks to protein crystals Jianwen Jiang,* Ravichandar Babarao and Zhongqiao Hu
Chem. Soc. Rev., 2011, 40, 3599–3612 3599.[Link]
Corresponding States Theory for the Freezing of Ionic Liquids Ravichandar Babarao,† Jiang Jianwen,† and Leslie V. Woodcock*,‡
Ind. Eng. Chem. Res. 2011, 50, 234–238. [Link]
Highly Porous Ionic rht Metal-Organic Framework for H2 and CO2 Storage and Separation: A Molecular Simulation Study R. Babarao,† M. Eddaoudi,‡ and J. W. Jiang*,†
Langmuir 2010, 26(13), 11196–11203.[Link]
Cation Characterization and CO2 Capture in Li+-Exchanged Metal-Organic Frameworks: From First-Principles Modeling to Molecular Simulation† R. Babarao and J. W. Jiang*
Ind. Eng. Chem. Res. 2011, 50, 62–68. [Link]
A Highly Hydrophobic Metal-Organic Framework Zn(BDC)(TED)0.5 for Adsorption and
Separation of CH3OH/H2O and CO2/CH4: An Integrated Experimental and Simulation Study Y. F. Chen,† J. Y. Lee,‡ R. Babarao,† J. Li,‡ and J. W. Jiang†,*
J. Phys. Chem. C 2010, 114, 6602–6609.[Link]
Metal-Organic Framework MIL-101 for Adsorption and Effect of Terminal Water Molecules: From Quantum Mechanics to Molecular Simulation Y. F. Chen,† R. Babarao,† S. I. Sandler,‡ and J. W. Jiang*,†
Langmuir 2010, 26(11), 8743–8750. [Link]
Adsorption and Phase Behaviour in Nanochannels and Nanotubes . [Link]
Unraveling the Energetics and Dynamics of Ibuprofen in Mesoporous Metal-Organic Frameworks Ravichandar Babarao and Jianwen Jiang*
J. Phys. Chem. C 2009, 113, 18287–18291.[Link]
Atomistic Insight into Adsorption, Mobility, and Vibration of Water in Ion-Exchanged Zeolite-like MetalOrganic Frameworks A. Nalaparaju, R. Babarao, X. S. Zhao, and J. W. Jiang*
www.acsnano.org. [Link]
Unprecedentedly High Selective Adsorption of Gas Mixtures in rho Zeolite-like Metal-Organic Framework: A Molecular Simulation Study Ravichandar Babarao and Jianwen Jiang*
J. AM. CHEM. SOC. 2009, 131, 11417–11425.[Link]
Molecular Insight into Adsorption and Diffusion of Alkane Isomer Mixtures in Metal-Organic Frameworks Ravichandar Babarao, Yew Hin Tong, and Jianwen Jiang*
J. Phys. Chem. B 2009, 113, 9129–9136. [Link]
Upgrade of natural gas in rho zeolite-like metal–organic framework and effect of water: a computational study† Ravichandar Babarao and Jianwen Jiang*
Energy Environ. Sci., 2009, 2, 1088–1093.[Link]
Molecular Simulations for Adsorptive Separation of CO2/CH4 Mixture in Metal-Exposed, Catenated, and Charged Metal-Organic Frameworks Ravichandar Babarao, Jianwen Jiang,* and Stanley I. Sandler
Langmuir 2009, 25(9), 5239–5247.[Link]
Molecular Screening of Metal-Organic Frameworks for CO2 Storage Ravichandar Babarao and Jianwen Jiang*
Langmuir 2008, 24, 6270-6278.[Link]
Diffusion and Separation of CO2 and CH4 in Silicalite, C168 Schwarzite, and IRMOF-1: A Comparative Study from Molecular Dynamics Simulation
Ravichandar Babarao and Jianwen Jiang*
Langmuir 2008, 24, 5474-5484.[Link]
Exceptionally high CO2 storage in covalent-organic frameworks: Atomistic simulation study† Ravichandar Babarao and Jianwen Jiang*
Energy Environ. Sci., 2008, 1, 139–143.[Link]
Storage and Separation of CO2 and CH4 in Silicalite, C168 Schwarzite,
and IRMOF-1: A Comparative Study from Monte Carlo Simulation Ravichandar Babarao, Zhongqiao Hu, and Jianwen Jiang*
Langmuir 2007, 23, 659-666. [Link]
Porous Aromatic Frameworks Impregnated with Lithiated Fullerenes for Natural Gas Purification Afsana Ahmed ‡†, Ravichandar Babarao †, Runhong Huang , Nikhil Medhekar , B. D. Todd ‡, Matthew R. Hill † and Aaron W. Thornton *†
.[Link]
Porous Aromatic Frameworks Impregnated with Fullerenes for Enhanced Methanol/Water Separation Afsana Ahmed, ‡† Zongli Xie, † Kristina Konstas, † Ravichandar Babarao, † B. D. Todd, ‡ Matthew
R. Hill† and Aaron W. Thornton *†
. [Link]
Mechanistic Understanding of Fluids Confined in Nanoporous Materials: From Zeolites, Organic-Zeolites to Bioorganic-Zeolites Ravichandar Babarao, Zhongqiao Hu, A. Nalaparaju, X. S. Zhao and Jianwen Jiang*
.[Link]