Line defects in monolayer TiSe2 with adsorption of Pt atoms potentially enable excellent catalytic activity

Song, Zhiquan; Yi, Juxia; Qi, Jing; Zheng, Qi; Zhu, Zhili; Lei, Tao; Cao, Yun; Li, Yan; Gao, Zhao-Yan; Zhang, Ruizi; Li, Huang; Liu, Geng; Xu, Zong‐Xiang; Xu, Wenbin; Wang, Yeliang; Shen, Chengmin; Zhang, Yuyang; Lu, Hong-Liang; Lin, Xiao; Du, Shixuan; Gao, Hongjun

doi:10.1007/s12274-021-4002-y

Cited by 21 publications

(10 citation statements)

References 47 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…As shown in Figure 20d-h, the Se vacancy line on TiSe 2 monolayer can be occupied with Pt single atom, dimer and trimer with favorable negative adsorption energy. [170] While it's counter-intuitive that the optimal ∆G H* is not achieved by the most densely aligned Pt trimer but the isolated Pt single atom. Additionally, the elemental species of vacancies for single atom accommodation also impose critical impacts on their synergetic effect details.…”

Section: Vacancy Engineering Toward Single-atom Catalysismentioning

confidence: 99%

“…Reproduced with permission. [170] Copyright 2022, Tsinghua University Press and Springer-Verlag GmbH Germany, part of Springer Nature. i) Atomic models of Co doped and undoped MoS 2 with one N 2 molecule adsorbed at S vacancy site.…”

Section: Vacancy Engineering Toward Single-atom Catalysismentioning

confidence: 99%

“…d-g) Atomic models of TiSe 2 on Au(111) with Pt single atom, dimer, trimer, tetramer adsorbed on Se vacancy line along with h) hydrogen adsorption Gibbs energy. Reproduced with permission [170]. Copyright 2022, Tsinghua University Press and Springer-Verlag GmbH Germany, part of Springer Nature.…”

mentioning

confidence: 99%

See 2 more Smart Citations

Vacancy Defects in 2D Transition Metal Dichalcogenide Electrocatalysts: From Aggregated to Atomic Configuration

Wang

Zhang

et al. 2023

Advanced Materials

View full text Add to dashboard Cite

Vacancy defect engineering has been well leveraged to flexibly shape comprehensive physicochemical properties of diverse catalysts. In particular, growing research effort has been devoted to engineering chalcogen anionic vacancies (S/Se/Te) of 2D transition metal dichalcogenides (2D TMDs) toward the ultimate performance limit of electrocatalytic hydrogen evolution reaction (HER). In spite of remarkable progress achieved in the past decade, systematic and in‐depth insights into the state‐of‐the‐art vacancy engineering for 2D‐TMDs‐based electrocatalysis are still lacking. Herein, this review delivers a full picture of vacancy engineering evolving from aggregated to atomic configurations covering their development background, controllable manufacturing, thorough characterization, and representative HER application. Of particular interest, the deep‐seated correlations between specific vacancy regulation routes and resulting catalytic performance improvement are logically clarified in terms of atomic rearrangement, charge redistribution, energy band variation, intermediate adsorption–desorption optimization, and charge/mass transfer facilitation. Beyond that, a broader vision is cast into the cutting‐edge research fields of vacancy‐engineering‐based single‐atom catalysis and dynamic structure–performance correlations across catalyst service lifetime. Together with critical discussion on residual challenges and future prospects, this review sheds new light on the rational design of advanced defect catalysts and navigates their broader application in high‐efficiency energy conversion and storage fields.

show abstract

Section: Vacancy Engineering Toward Single-atom Catalysismentioning

confidence: 99%

Section: Vacancy Engineering Toward Single-atom Catalysismentioning

confidence: 99%

See 1 more Smart Citation

Vacancy Defects in 2D Transition Metal Dichalcogenide Electrocatalysts: From Aggregated to Atomic Configuration

Wang

Zhang

et al. 2023

Advanced Materials

View full text Add to dashboard Cite

show abstract

“…Essentially, the spontaneity of the reaction is connected to the system's inherent tendency to move towards increased disorder, leading to the release of energy. Conversely, in non-spontaneous reactions, the system might undergoes a transition from a lower order state to a higher order state [18,19]. To build order in the system or drive the reaction forward, energy must be supplied.…”

Section: Moving Beyond Disorder In Chemistrymentioning

confidence: 99%

Beyond Disorder: A New Perspective on Entropy in Chemistry

Alzeer

2024

View full text Add to dashboard Cite

The concept of entropy, a fundamental principle in the field of chemistry, has traditionally been oversimplified as a mere measure of disorder. However, this simplistic perspective fails to capture the intricate and multifaceted nature of entropy, along with its profound influence on various phenomena. This paper seeks to delve deeper into the understanding of entropy by moving beyond the conventional disorder-centric viewpoint and adopting a more nuanced approach that integrates both disorder and energy considerations. Through the redefinition of potential energy and microstates as integral components of entropy, the study explores the intricate interplay between disorder, energy, and molecular transformations within chemical systems. The implications of this refined conceptualization extend beyond the boundaries of chemistry, impacting fields such as physics, biology, and medicine. The potential transformative effects of this enhanced understanding hold promise for advancing scientific knowledge and applications across diverse disciplines.

show abstract

“…Due to the favorable hydrogen adsorption energy, the MoSe 2 defective sites are taken as the catalytic active sites [ 14 , 15 ]. Subsequently, many studies have been focused on the surface engineering of defects and active sites for enhancement of catalytic performance [ 16 , 17 , 18 ]. In photoelectrochemical catalytic HER, semiconductive 2H phase MoSe 2 efficiently improved the charge separation of photogenerated electron-hole pairs and stability [ 19 , 20 ].…”

Section: Introductionmentioning

confidence: 99%

Quantum Dots Mediated Heterojunction Coupling MoSe2 Photoanode for Photoelectrochemical Water Splitting

Zhang,

Sun,

Zhao

et al. 2024

Molecules

View full text Add to dashboard Cite

Graphene quantum dots (GQDs) possess the photosensitive absorption for photoelectrochemical hydrogen evolution owing to special band structures, whereas they usually confront with photo-corrosion or undesired charge recombination during photoelectrochemical reactions. Hence, we establish the heterojunction between GQDs and MoSe2 sheets via a hydrothermal process for improved stability and performance. Photoanodic water splitting with hydrogen evolution boosted by the heteroatom doped N,S-GQDs/MoSe2 heterojunction has been attained due to the abundant active sites, promoted charge separation and transfer kinetics with reduced energy barriers. Diphasic 1T and 2H MoSe2 sheet-hybridized quantum dots contribute to the Schottky heterojunction, which can play a key role in expedited carrier transport to inhibit accumulative photo-corrosion and increase photocurrent. Heteroatom dopants lead to favored energy band matching, bandgap narrowing, stronger light absorption and high photocurrent density. The external quantum efficiency of the doped heterojunction has been elevated twofold over that of the non-doped pristine heterojunction. Modification of the graphene quantum dots and MoSe2 heterojunction demonstrate a viable and adaptable platform toward photoelectrochemical hydrogen evolution processes.

show abstract

Line defects in monolayer TiSe2 with adsorption of Pt atoms potentially enable excellent catalytic activity

Cited by 21 publications

References 47 publications

Vacancy Defects in 2D Transition Metal Dichalcogenide Electrocatalysts: From Aggregated to Atomic Configuration

Vacancy Defects in 2D Transition Metal Dichalcogenide Electrocatalysts: From Aggregated to Atomic Configuration

Beyond Disorder: A New Perspective on Entropy in Chemistry

Quantum Dots Mediated Heterojunction Coupling MoSe2 Photoanode for Photoelectrochemical Water Splitting

Contact Info

Product

Resources

About