Negatively charged platinum nanoparticles on dititanium oxide electride for ultra-durable electrocatalytic oxygen reduction

Hua, Erbing; Choi, Seung Gun; Ren, Shisong; Kim, Sungjun; Ali, Ghulam; Kim, Seon Je; Jang, Woo‐Sung; Joo, Sang Woo; Zhang, Jingshu; Ji, Seulgi; Cho, Yun Seong; Kang, Joohoon; Song, Taeseup; Hong, Seungbum; Choi, Heechae; Kim, Young‐Min; Han, HyukSu; Kim, Sung Wng

doi:10.1039/d3ee01211e

Cited by 11 publications

(3 citation statements)

References 48 publications

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“…To verify the role of surface terminals in suppressing polysulfides shuttle, E b and Li 2 S n ( n ≥ 4) binding strength on 1,3-dioxolane/1,2-dimethoxyethane (DOL/DME) electrolyte solvent molecules are compared (Figure S4). The E b of the two solvent molecules to Li 2 S n ( n ≥ 4) are shown in Figure c, with a value of 0.8–1.0 eV, agreeing well with those (0.74–0.98 eV) reported in previous reports. , Experimental reports have confirmed that the electrides can be stabilized in electrolytes . Li 2 S n ( n ≥ 4) on M 2 CCl 2 has a lower E b and is more inclined to react with the solvent molecules in the subsequent reaction, and polysulfides will dissolve in the solution and cannot be used as candidates.…”

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confidence: 89%

“…17,31 Experimental reports have confirmed that the electrides can be stabilized in electrolytes. 32 Li 2 S n (n ≥ 4) on M 2 CCl 2 has a lower E b and is more inclined to react with the solvent molecules in the subsequent reaction, Exploring van der Waals (vdW) interactions during the adsorption behavior can well describe the adsorption strength of AEs in 2D electrides with polysulfides. We then calculate the ratios of vdW interactions to characterize the effect of vdW forces.…”

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confidence: 99%

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Deciphering the Influence of Anionic Electrons of Surface-Functionalized Two-Dimensional Electrides in Lithium–Sulfur Batteries

Qi,

Li,

Wang

et al. 2023

J. Phys. Chem. Lett.

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Using transition metal compounds as sulfur hosts is regarded as a promising approach to suppress the polysulfide shuttle and accelerate redox kinetics for lithium–sulfur (Li–S) batteries. Herein, we report that a new kind of compound, electrides (exotic ionic crystalline materials in which electrons serve as anions), is efficient sulfur hosts for Li–S batteries for the first time. Based on the first-principles calculations, we found that two-dimensional (2D) electrides M2C (M = Sc, Y) exhibit unprecedentedly strong binding strength toward sulfur species and surface functionalization is necessary to passivate their activity. The 2D electrides modified with the F-functional group exhibit the best performance in terms of the adsorption energy and sulfur reduction process. A comparative study with a nonelectride reveals that the anionic electrons (AEs) of electrides aid in anchoring the soluble polysulfides. These results open an avenue for the application of electrides in Li–S batteries.

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supporting

confidence: 89%

mentioning

confidence: 99%

Deciphering the Influence of Anionic Electrons of Surface-Functionalized Two-Dimensional Electrides in Lithium–Sulfur Batteries

Qi,

Li,

Wang

et al. 2023

J. Phys. Chem. Lett.

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“…The stable oxidation state of Pt atoms in the Pt/SWCNT sustained its high performance and longer durability. These findings align with a prior study that demonstrated how negatively charged Pt nanoparticles, supported by the chemically stable dititanium oxide electride, boost the catalytic activity and sustain performance . Notably, this support structure effectively prevents the formation of a Pt–O skin on the surface of the reduced charged Pt nanoparticles.…”

Section: Resultsmentioning

confidence: 99%

Single-Walled Carbon Nanotubes Supported Pt Electrocatalyst as a Cathode Catalyst of a Single Fuel Cell with High Durability against Start-up/Shut-down Potential Cycling

Huda,

Kawahara,

Park

et al. 2023

ACS Appl. Energy Mater.

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A Machine Learning‐Enhanced Framework for the Accelerated Development of Spinel Oxide Electrocatalysts

Jeong,

Shim,

et al. 2024

Advanced Energy Materials

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The surging demand for sustainable energy has spurred intensive research into electrochemical conversion devices such as fuel cells, water splitting, and metal‐air batteries. The performance of oxygen electrocatalysts significantly impacts overall electrochemical efficiency. Recently, spinel oxides (AB2O4) have emerged as promising candidates; however, the scarcity of prior studies underscores the need for a thorough and comprehensive exploration. This study presents a computational framework that integrates machine learning and density functional theory (DFT) calculations for the systematic screening of 1240 spinel oxides. The data scarcity is addressed while enhancing prediction accuracy. Selected candidates are identified to outperform the benchmarking perovskite oxide. Additionally, their potential as mixed ionic and electronic conductors with a 3D network of ion diffusion pathways is highlighted. To further enhance the understanding and prediction of stability, catalytic activity, and reaction mechanisms, a new undemanding descriptor is introduced: the covalency indicator. This study offers a design principle for the development of high‐performance spinel oxide oxygen electrocatalysts.

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Negatively charged platinum nanoparticles on dititanium oxide electride for ultra-durable electrocatalytic oxygen reduction

Abstract: Modulating the metal-support interaction (MSI) have been of rational approach to enhance the kinetics of the supported Pt-based nanocatalysts for oxygen reduction reaction (ORR). However, sluggish activity and poor durability...

Cited by 11 publications

References 48 publications

Deciphering the Influence of Anionic Electrons of Surface-Functionalized Two-Dimensional Electrides in Lithium–Sulfur Batteries

Deciphering the Influence of Anionic Electrons of Surface-Functionalized Two-Dimensional Electrides in Lithium–Sulfur Batteries

Single-Walled Carbon Nanotubes Supported Pt Electrocatalyst as a Cathode Catalyst of a Single Fuel Cell with High Durability against Start-up/Shut-down Potential Cycling

A Machine Learning‐Enhanced Framework for the Accelerated Development of Spinel Oxide Electrocatalysts

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