Metal-organic-framework-derived dual-atom catalysts: from synthesis to electrocatalytic applications

X Xu, J Guan - Materials Science and Engineering: R: Reports, 2025 - Elsevier
The pursuit of high metal utilization in multiphase catalysis has given rise to a growing
interest in atomically dispersed catalysts. Dual-atom catalysts (DACs) possess distinctive …

Unveiling the power of defect engineering in MOF-808 to enhance efficient carbon dioxide adsorption and separation by harnessing the potential of DFT analysis

A Kazemi, MA Pordsari, M Tamtaji, MH Afshari… - Chemical Engineering …, 2024 - Elsevier
Defect engineering in metal–organic frameworks involves intentionally introducing defects to
modify their properties. These defects create new active sites, increase surface area, and …

Calcium single atom confined in nitrogen-doped carbon-coupled polyvinylidene fluoride membrane for high-performance piezocatalysis

Q Zhao, Y Yang, G **ong, J Chen, T Xu… - Journal of the …, 2024 - ACS Publications
A piezoelectric polymer membrane based on single metal atoms was demonstrated to be
effective by anchoring isolated calcium (Ca) atoms on a composite of nitrogen-doped carbon …

DFT screening of dual-atom catalysts on carbon nanotubes for enhanced oxygen reduction reaction and oxygen evolution reaction: comparing dissociative and …

X Zhou, M Tamtaji, W Zhou, WA Goddard III… - Journal of Materials …, 2024 - pubs.rsc.org
Dual-atom catalysts (DACs) are promising for the oxygen reduction reaction (ORR) and the
oxygen evolution reaction (OER). However, two vital factors, namely curvature effects and …

Reaction Mechanism of Rapid CO Electroreduction to Propylene and Cyclopropane (C3+) over Triple Atom Catalysts

M Tamtaji, S Kwon, CB Musgrave III… - … Applied Materials & …, 2024 - ACS Publications
The carbon monoxide reduction reaction (CORR) toward C2+ and C3+ products such as
propylene and cyclopropane can not only reduce anthropogenic emissions of CO and CO2 …

Environmentally friendly synthesis and morphology engineering of mixed-metal MOF for outstanding CO2 capture efficiency

A Kazemi, MA Pordsari, M Tamtaji, F Manteghi… - Chemical Engineering …, 2025 - Elsevier
Fossil fuels are a major source of energy, but they significantly contribute to CO 2 emissions,
exacerbating climate change. In this study, a sustainable CO 2 adsorbent based on Mixed …

[HTML][HTML] Sacrificial MOF-derived MnNi hydroxide for high energy storage supercapacitor electrodes via DFT-based quantum capacitance study

E Torabi, A Kazemi, M Tamtaji, F Manteghi, S Rohani… - Heliyon, 2025 - cell.com
Electrochemical energy storage plays a critical role in the transition to clean energy. With the
growing demand for efficient and sustainable energy solutions, supercapacitors have …

Improved performances toward electrochemical carbon dioxide and oxygen reductions by iron-doped stannum nanoparticles

J Zhu, Q Zhang, C Wang, Y Feng, Y Zhang, G Qi… - Nanoscale, 2025 - pubs.rsc.org
The CO2 reduction reaction (CO2RR) and oxygen reduction reaction (ORR) show great
promise for expanding the use of renewable energy sources and fostering carbon neutrality …

High-throughput screening of mechanically interlocked Catenane metal complexes for enhanced electrocatalytic activity

M Tamtaji, WA Goddard, GH Chen - Journal of Materials Chemistry A, 2024 - pubs.rsc.org
Metal complexes have been thoroughly studied for various electrochemical reactions.
Mechanically interlocked molecular machines, however, have not been studied for …

Experimental and computational investigations of biodiesel production from castor oil using Li-doped salmon fish bone-supported lanthanum oxide catalyst in a micro …

S Piran, M Kazemeini, E Mohebolkhames, M Tamtaji - Renewable Energy, 2024 - Elsevier
Ensuring efficient and sustainable biodiesel production is essential for addressing
environmental concerns and meeting global energy demands. This study aims to optimize …