Browsing by Author "Muthukumar, D."

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Computer modelling of trace SO2 and NO2 removal from flue gases by utilizing Zn(ii) MOF catalysts

Muthukumar, D.; Nagaraja, C.M.; Badawi, M.; Pillai, R S. (2024-06-04)

Abstract SO2 and NO2 capture and conversion have been investigated via density functional theory (DFT) and grand canonical Monte Carlo (GCMC) simulations using a novel hydrogen-bonded 3D metal–organic framework (MOF) ...
Efficient chemical fixation of CO2 from direct air under environment-friendly co-catalyst and solvent-free ambient conditions

Das, R.; Ezhil, T.; Palakkal, A.S.; Muthukumar, D.; Pillai, R.S.; Nagaraja, C.M. (2022-08-18)

The capture and conversion of CO2from direct air into value-added products under mild conditions represents a promising step towards environmental remediation and energy sustainability. Consequently, herein, we report the ...
Rational design of a Zn II MOF with multiple functional sites for highly efficient fixation of CO2 under mild conditions: combined experimental and theoretical investigation

Das, R.; Muthukumar, D.; Pillai, R.S.; Nagaraja, C.M. (2021-07-01)

The development of efficient heterogeneous catalysts suitable for carbon capture and utilization (CCU) under mild conditions is a promising step towards mitigating the growing concentration of CO2 in the atmosphere. ...

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