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Life Cycle Assessment of Sustainable Metal Organic Frameworks (MOFs) and Zeolites

Authors : Satyanarayana Bonakala , Elumalai Palani , Fadwa El Mellouh , Yusuf Biçer , Namra Mir , Abdulkarem Amhamed
Journal : International Journal of Global Warming
Volume : 36
2025

A human-in-the-loop approach for visual clustering of overlapping materials science data

Authors : Satyanarayana Bonakala , Michael Aupetit , Halima Bensmail , Fedwa El-Mellouhi
Journal : Digital Discovery
Journal Reference count : 77
Volume : 3
Pages : 502-513
2024

Democratizing the Assessment of Thermal Robustness of Metal–Organic Frameworks

Authors : Satyanarayana Bonakala , Anas Abutaha , Palani Elumalai , Ayman Samara , Said Mansour , Fedwa El-Mellouhi
Journal : ACS Omega
Journal Reference count : 43
Volume : 7
Pages : 46515-46523
2022

Comparative study of external electric field and potential effects on liquid water ions

Authors : Satyanarayana Bonakala , Mohammad I. Hasan
Journal : Molecular Physics
Journal Reference count : 44
Volume : 120
2021

Fluorocarbon-Functionalized Superhydrophobic Metal–Organic Framework: Enhanced CO2 Uptake via Photoinduced Postsynthetic Modification

Authors : Arpan Hazra , Satyanarayana Bonakala , Stephen Adie Adalikwu , Sundaram Balasubramanian , Tapas Kumar Maji
Journal : Inorganic Chemistry
Journal Reference count : 97
Volume : 60
Pages : 3823-3833
2021

First-Principles Characterization and Experimental Validation of the Solid–Solid Interface in a Novel Organosulfur Cathode for the Li–S Battery

Authors : Satyanarayana Bonakala , Amar Deep Pathak , Alexey Deyko , Christina Christova , Indranil Rudra , Guy Verbist
Journal : ACS Applied Materials & Interfaces
Journal Reference count : 36
Volume : 12
Pages : 18101-18109
2020

Unraveling the Enhancement of the Interfacial Compatibility between Metal–Organic Framework and Functionalized Graphene Oxide

Authors : Anusha Lalitha , Jae Eun Shin , Satyanarayana Bonakala , Jee Yeon Oh , Ho Bum Park , Guillaume Maurin
Journal : The Journal of Physical Chemistry C
Journal Reference count : 64
Volume : 123
Pages : 4984-4993
2019

Equation of State of Fluid Methane from First Principles with Machine Learning Potentials

Authors : Max Veit , Sandeep Kumar Jain , Satyanarayana Bonakala , Indranil Rudra , Detlef Hohl , Gábor Csányi
Journal : Journal of Chemical Theory and Computation
Journal Reference count : 133
Volume : 15
Pages : 2574-2586
2019

Separation/purification of ethylene from an acetylene/ethylene mixture in a pillared-layer porous metal–organic framework

Authors : Arpan Hazra , Saibal Jana , Satyanarayana Bonakala , Sundaram Balasubramanian , Tapas Kumar Maji
Journal : Chemical Communications
Journal Reference count : 36
Volume : 53
Pages : 4907-4910
2017

Modelling adsorption in fluorinated TKL MOFs

Authors : Promit Ray , Satyanarayana Bonakala , Sundaram Balasubramanian
Journal : Molecular Simulation
Journal Reference count : 71
Volume : 43
Pages : 213-221
2016

Dynamic Entangled Porous Framework for Hydrocarbon (C2–C3) Storage, CO2 Capture, and Separation

Authors : Nivedita Sikdar , Satyanarayana Bonakala , Ritesh Haldar , Sundaram Balasubramanian , Tapas Kumar Maji
Journal : Chemistry – A European Journal
Journal Reference count : 105
Volume : 22
Pages : 6059-6070
2016

Structure–Property Relationships in Amorphous Microporous Polymers

Authors : Satyanarayana Bonakala , Sundaram Balasubramanian
Journal : The Journal of Physical Chemistry B
Journal Reference count : 83
Volume : 120
Pages : 557-565
2016

Host–Guest [2+2] Cycloaddition Reaction: Postsynthetic Modulation of CO2 Selectivity and Magnetic Properties in a Bimodal Metal–Organic Framework

Authors : Arpan Hazra , Satyanarayana Bonakala , Karteek K. Bejagam , Sundaram Balasubramanian , Tapas Kumar Maji
Journal : Chemistry – A European Journal
Journal Reference count : 70
Volume : 22
Pages : 7792-7799
2016

Modelling Gas Adsorption in Porous Solids: Roles of Surface Chemistry and Pore Architecture

Authors : SATYANARAYANA BONAKALA , SUNDARAM BALASUBRAMANIAN
Journal : Journal of Chemical Sciences
Journal Reference count : 96
Volume : 127
Pages : 1687-1699
2015

Amide Functionalized Microporous Organic Polymer (Am-MOP) for Selective CO2 Sorption and Catalysis

Authors : Venkata M. Suresh , Satyanarayana Bonakala , Hanudatta S. Atreya , Sundaram Balasubramanian , Tapas Kumar Maji
Journal : ACS Applied Materials & Interfaces
Journal Reference count : 52
Volume : 6
Pages : 4630-4637
2014

Two 3D metal–organic frameworks of Cd(ii): modulation of structures and porous properties based on linker functionalities

Authors : Ritesh Haldar , Satyanarayana Bonakala , Prakash Kanoo , Sundaram Balasubramanian , Tapas Kumar Maji
Journal : CrystEngComm
Journal Reference count : 66
Volume : 16
Pages : 4877-4885
2014

Synthesis, Characterization, and Modeling of a Functional Conjugated Microporous Polymer: CO2 Storage and Light Harvesting

Authors : Venkata M. Suresh , Satyanarayana Bonakala , Syamantak Roy , Sundaram Balasubramanian , Tapas Kumar Maji
Journal : The Journal of Physical Chemistry C
Journal Reference count : 50
Volume : 118
Pages : 24369-24376
2014

Effect of Pillar Modules and Their Stoichiometry in 3D Porous Frameworks of Zn(II) with [Fe(CN)6]3–: High CO2/N2 and CO2/CH4 Selectivity

Authors : Arpan Hazra , Satyanarayana Bonakala , Sandeep K. Reddy , Sundaram Balasubramanian , Tapas Kumar Maji
Journal : Inorganic Chemistry
Journal Reference count : 110
Volume : 52
Pages : 11385-11397
2013