ORCID Profile
0000-0002-8491-3565
Current Organisation
The University of Texas at Austin
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Publisher: Wiley
Date: 12-12-2021
Abstract: Atomic catalysts (AC) are gaining extensive research interest as the most active new frontier in heterogeneous catalysis due to their unique electronic structures and maximum atom‐utilization efficiencies. Among all the atom catalysts, atomically dispersed heteronuclear dual‐atom catalysts (HDACs), which are featured with asymmetric active sites, have recently opened new pathways in the field of advancing atomic catalysis. In this review, the up‐to‐date investigations on heteronuclear dual‐atom catalysts together with the last advances on their theoretical predictions and experimental constructions are summarized. Furthermore, the current experimental synthetic strategies and accessible characterization techniques for these kinds of atomic catalysts, are also discussed. Finally, the crucial challenges in both theoretical and experimental aspects, as well as the future prospects of HDACs for energy‐related applications are provided. It is believed that this review will inspire the rational design and synthesis of the new generation of highly effective HDACs.
Publisher: American Chemical Society (ACS)
Date: 15-07-2021
DOI: 10.1021/JACS.1C06579
Publisher: Elsevier BV
Date: 08-2020
Publisher: Wiley
Date: 28-06-2021
Abstract: Transition metal nitrides (TMNs)‐based materials have attracted increasing attention in electrochemical nitrogen reduction reaction (eNRR) because of their unique structures and inherent electronic properties. However, the eNRR mechanism on such nitrogen contained catalysts is still unclear, for ex le, which part of the catalyst act as the active sites, and how to achieve the optimal efficiency is also challenging. In this work, a comprehensive study was conducted to unravel the reaction mechanisms of N 2 fixation on molybdenum nitride by using density functional theory (DFT) calculations. The activity and selectivity of eNRR on pristine (001) and (110) Mo 5 N 6 surfaces as well as few specific numbers of heteroatom‐anchored N‐terminated surfaces were all evaluated and compared. It was found that the Mo and N atoms on the pristine Mo 5 N 6 surface were both active for eNRR while following different pathways in mechanism. Moreover, the eNRR catalytic performance of Mo 5 N 6 could be further boosted by specific metal atoms anchoring, such as single atom, metal dimer, and heterodiatom pair. Finally, a full map of eNRR mechanism on pristine and metal atom‐decorated Mo 5 N 6 surfaces was illustrated. This work not only provides a fundamental understanding of eNRR mechanism on TMNs based materials but also offers powerful strategies towards the rational design of efficient NRR electrocatalysts.
Publisher: Royal Society of Chemistry (RSC)
Date: 2021
DOI: 10.1039/D1QM00595B
Abstract: Theoretical exploration accelerates the design of robust and efficient graphyne-based advanced energy and electronic devices for real applications.
Publisher: American Chemical Society (ACS)
Date: 05-01-2021
DOI: 10.1021/JACS.0C12386
Publisher: American Chemical Society (ACS)
Date: 08-10-2020
DOI: 10.1021/JACS.0C08867
Publisher: American Chemical Society (ACS)
Date: 11-01-2022
Abstract: The design of alternative earth-abundant van der Waals (vdW) nanoheterostructures for bifunctional oxygen evolution/reduction (OER/ORR) electrocatalysis is of paramount importance to fabricate energy-related devices. Herein, we report a simple metal-organic framework (MOF)-derived synthetic strategy to fabricate low-dimensional (LD) nanohybrids formed by zero-dimensional (0D) ZrO
Publisher: Royal Society of Chemistry (RSC)
Date: 2021
DOI: 10.1039/D1TA02355A
Abstract: A novel 1D/2D interface with asymmetric metal and nonmetal catalytic active sites is proposed to efficiently convert CO into C 2+ products.
No related grants have been discovered for Alain Rafael Puente Santiago.