2020年8月30日 · Herein, we report a facile pyrolysis method to fabricate an atomically dispersed rhodium catalyst (Rh@NG). The Rh@NG exhibits outstanding electrochemical activities and kinetics for oxygen reduction reaction in alkaline medium, which can compare to Pt/C catalysts, along with excellent durability and good tolerance to methanol and carbon monoxide.

2023年2月27日 · In this case, RhN 4 –OH represents a high antibonding fragment just above the Fermi level, thereby leading to activated OH* adsorption and CO oxidation. In brief, RhN 4 and RhC 4 utilize different orbitals to bind OH*, thereby leading to obvious changes in binding strength that differentiate the two sites in terms of COOR activity.

2023年6月15日 · Both of local ligand and geometric structure of M−N 4 in MNC catalyst are important to their electronic and geometric property, so as to the adsorption energy of OER intermediates (*OH, *O, *OOH). Therefore, we calculated the ΔG*OH of MN 4 C 8, MN 4 C 10 and MN 4 C 12 (M = Co, Ru, Rh, Pd, Ir) electrocatalysts.

2019年2月12日 · For RhN 4 -Gra, HCOOH is the most favorable product with the limiting potential of −0.39 V and small overpotential of 0.14 V. These results suggest that RhN x -Gra (x = 2–4) have high catalytic activity and selectivity toward both the oxygen reduction reaction and CO 2 reduction reaction, in particular, for RhN x -Gra (x = 3, 4).

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2023年2月27日 · Catalytic behavior of metal-free hydroxyl group (OH) functionalized single nitrogen (N-Gra (OH) 16) and triple nitrogen (N 3 -Gra (OH) 16) doped graphene surface are investigated in the 4e − reduction pathway under oxygen reduction reaction (ORR) process.

2003年11月7日 · Optimized equilibrium bond lengths and angles, absolute and binding energies, charge distributions, and Mulliken populations are determined. The clusters chemistry is tested via adsorption of atomic oxygen and hydrogen, where a systematic study of the preferred adsorbate adsorption site is performed.

摘要采用半经验的Gupta多体势结合遗传算法对Rhn、Con（n=3～56）团簇的基态结构特性进行了系统的研究.除在n=18～40尺寸范围内有少数团簇的构型不同,两种团簇具有相似的几何结构.在Rhn、Con（n=3～56）团...

2018年12月3日 · Further, stable rhodium cluster-catalyzed O–H bond activation of methanol has been investigated. Rh − 13 and Rh 14 are found to have higher activity towards O–H activation. Ruthenium-doped rhodium clusters have also been utilized to investigate the reactivity and catalytic activity of the same reaction and found to exhibit higher activity.

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