Atomically dispersed low-cost transition metals catalyze efficient hydrogen evolution on two-dimensional SnO nanosheets

Sun, Zhipeng; Gao, Zhirui; Zhang, Changcheng; Guan, Lixiu; Tao, Junguang

doi:10.1016/j.ijhydene.2021.06.105

Cited by 10 publications

(3 citation statements)

References 69 publications

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“…However, the site-2 do not accommodate the anchoring of Cr. In this context, the adsorption energy (∆E TM-ads ) of each anchoring site is defined as follows [41]:…”

Section: Stability and Electronic Properties Of Single Tm Atom Adsorp...mentioning

confidence: 99%

“…Surface decorating with TMs has been proved to be promising strategy to improve the catalytic performance by altering active sites [41]. To evaluate the effect of TM atom decorating on the HER catalytic performance, we calculated change in the Gibbs free energy, ∆G(H * ), during HER for these SACs, as shown in figures 4(a) and (b).…”

Section: Stability and Electronic Properties Of Single Tm Atom Adsorp...mentioning

confidence: 99%

See 1 more Smart Citation

Insight of hydrogen evolution reaction in slab SnO₂ loaded with transition metal atoms

Sun,

Huang,

Liao

et al. 2024

J. Phys. D: Appl. Phys.

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The utilization of hydrogen energy has emerged as a promising solution for clean and sustainable energy sources. The development of cost-effective catalysts with high activity and stability is crucial for efficient hydrogen production. In this work, we investigated the hydrogen evolution reaction catalytic activity of single transition metal atom (TM = V, Cr, Mn, Fe, Co, Ni) on slab SnO2 by using density functional theory. Our results revealed that the catalytic activity of the slab SnO2 can be significantly enhanced by loading the transition atom. By calculating the Gibbs free energies and exchange current densities in different adsorption configurations of TM-SnO2, single-atom catalyst of Mn-loaded single-atom catalyst exhibits excellent catalytic performance, characterized by a low Gibbs free energy barrier (-0.05 eV). Introducing a transition metal on the SnO2 surface breaks its local symmetry, while the strong coupling between the metal and H atoms enhances catalytic performance. The synergetic effect of symmetry breaking and metal-H interaction boosts overall catalytic activity. This work not only proposes a novel non-platinum HER catalyst based on SnO2 but also lays a solid foundation for future applications of SnO2-based catalysts.

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“…However, the site-2 do not accommodate the anchoring of Cr. In this context, the adsorption energy (∆E TM-ads ) of each anchoring site is defined as follows [41]:…”

Section: Stability and Electronic Properties Of Single Tm Atom Adsorp...mentioning

confidence: 99%

Section: Stability and Electronic Properties Of Single Tm Atom Adsorp...mentioning

confidence: 99%

Insight of hydrogen evolution reaction in slab SnO₂ loaded with transition metal atoms

Sun,

Huang,

Liao

et al. 2024

J. Phys. D: Appl. Phys.

View full text Add to dashboard Cite

show abstract

“…Single-atom catalysts (SACs) have attracted considerable interest in recent years due to their increased activity and selectivity [26][27][28][29]. Two-dimensional nanosheets have unique structures and tunable electronic properties which make them promising substrates for SACs [30][31][32][33]. The hybridization between the d-orbitals of the embedded transition metals and the p-orbitals of the main group elements of the substrate has been proved to be a viable technique for increasing catalytic performance [34][35][36][37].…”

Section: Introductionmentioning

confidence: 99%

Potential of first row transition metal decorated graphtriyne quantum dots as single atom catalysts towards hydrogen evolution reaction (HER)

Ullah,

Gilani,

Imran

et al. 2023

Phys. Scr.

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To advance the clean energy systems based on hydrogen, highly efficient and low-cost electrocatalysts for the hydrogen evolution reaction (HER) are of paramount importance. In recent years, single atoms embedded within 2-dimensional (2D) material substrates have emerged as exceptional catalysts for HER. Graphtriyne, a 2D material due to its novel electronic properties is a promising substrate for development of single atom catalysts. In this study, we employed density functional theory (DFT) simulations to investigate the potential of transition metals (Fe, Co, Ni, Cu, and Zn) anchored on graphtriyne quantum dot as single atom catalysts (SACs) for HER. Our results revealed that Zn and Ni SACs anchored on graphtriyne quantum dot exhibit excellent HER performance. Additionally, we calculated total density of states (TDOS), partial density of states (PDOS), HOMO, LUMO energies and HOMO–LUMO energy gap for the proposed SACs. Our work presents a promising approach for the development of HER catalysts, utilizing graphtriyne quantum dot as support material and transition metal atoms (Fe, Co, Ni, Cu, and Zn) as the single atom centers.

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Low-cost single-atom transition metals on two-dimensional SnO nanosheets for efficient hydrogen evolution catalysis in all pH-range

Sun

Gao

et al. 2022

Applied Surface Science

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Atomically dispersed low-cost transition metals catalyze efficient hydrogen evolution on two-dimensional SnO nanosheets

Cited by 10 publications

References 69 publications

Insight of hydrogen evolution reaction in slab SnO₂ loaded with transition metal atoms

Insight of hydrogen evolution reaction in slab SnO₂ loaded with transition metal atoms

Potential of first row transition metal decorated graphtriyne quantum dots as single atom catalysts towards hydrogen evolution reaction (HER)

Low-cost single-atom transition metals on two-dimensional SnO nanosheets for efficient hydrogen evolution catalysis in all pH-range

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Atomically dispersed low-cost transition metals catalyze efficient hydrogen evolution on two-dimensional SnO nanosheets

Cited by 10 publications

References 69 publications

Insight of hydrogen evolution reaction in slab SnO2 loaded with transition metal atoms

Insight of hydrogen evolution reaction in slab SnO2 loaded with transition metal atoms

Potential of first row transition metal decorated graphtriyne quantum dots as single atom catalysts towards hydrogen evolution reaction (HER)

Low-cost single-atom transition metals on two-dimensional SnO nanosheets for efficient hydrogen evolution catalysis in all pH-range

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Insight of hydrogen evolution reaction in slab SnO₂ loaded with transition metal atoms

Insight of hydrogen evolution reaction in slab SnO₂ loaded with transition metal atoms