Variations of topological surface states of nodal line semimetal AlB<sub>2</sub> after adsorption in aqueous environment DOI Open Access

Pang-Dong Zhu,

Changhao Wang, Ru‐Zhi Wang

et al.

Acta Physica Sinica, Journal Year: 2024, Volume and Issue: 73(12), P. 127101 - 127101

Published: Jan. 1, 2024

Topological semimetals have aroused great research interest due to their intrinsic topological physics and potential applications in devices. A key feature for all materials is the so-called bulk-boundary correspondence, which means that if there non-trivial band topology bulk, then we can expect unique topologically protected conducting states surface, i.e. surface state (TSS). Previously, studies of mainly focused on pristine surfaces, while nodal line semimetal with adsorbates are rarely systematically studied. In this paper, properties AlB<sub>2</sub> studied by first-principles calculations, TSS position calculated constructing Al- B-terminated slab models. Observing state, it found drumhead-like connects two Dirac nodes no energy gaps node line, Al end-terminated has a smaller dispersion than slab. The adsorption characteristics (010) studied, Gibbs free (<inline-formula><tex-math id="M2">\begin{document}$ {\Delta }{G}_{{{\mathrm{H}}}^{*}} $\end{document}</tex-math><alternatives><graphic specific-use="online" xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="12-20240404_M2.jpg"/><graphic specific-use="print" xlink:href="12-20240404_M2.png"/></alternatives></inline-formula>) hydrogen only –0.031 eV, demonstrating excellent evolution reaction (HER) performance. changes after H, OH H<sub>2</sub>O adsorbed aqueous solution environment observed. change most significant when H adsorbed, followed adsorption. And influence its electrical neutrality weak very weak. Before adsorption, because protection still exists, changes, confirms robustness environment. results work provide systematic understanding effects different adsorbents AlB<sub>2</sub>, paving way future theoretical experimental related fields, alsopresent support putting into practical .

Language: Английский

Magnetic topological materials in two-dimensional: theory, material realization and application prospects DOI
Xiaoming Zhang, Xiaotian Wang, Tingli He

et al.

Science Bulletin, Journal Year: 2023, Volume and Issue: 68(21), P. 2639 - 2657

Published: Sept. 7, 2023

Language: Английский

Citations

22
Stainless steel as gas evolving electrodes in water electrolysis: Boosting the electrocatalytic hydrogen evolution reaction on electrodeposited Ni@CoP modified stainless steel electrodes DOI
Abdulaziz A.M. Abahussain, Abdulrahman Faraj Alharbi, Wael Wazeer

et al.

Fuel, Journal Year: 2024, Volume and Issue: 368, P. 131605 - 131605

Published: April 5, 2024

Language: Английский

Citations

7
Topological insulator path toward efficient hydrogen evolution catalysts in the Li2Pt family DOI

Yu-Hao Wei,

Da‐Shuai Ma, Hongkuan Yuan

et al.

Physical review. B./Physical review. B, Journal Year: 2023, Volume and Issue: 107(23)

Published: June 20, 2023

Topological materials, such as topological semimetals and insulators, with robust surface states have bright application prospects in electrochemical catalysis. Here, the first-principles calculations indicate strong insulator ${\mathrm{Li}}_{2}\mathrm{Pt}$ family promotes efficient catalytic response to hydrogen evolution reaction. For ${\mathrm{Li}}_{2}\mathrm{Pd}$, calculated Gibbs free energy $\mathrm{\ensuremath{\Delta}}{G}_{{\mathrm{H}}^{*}}$ of bridge site is 0.054 eV 0.041 eV, while that for top 0.187 0.641 respectively. The better reaction performance can ascribe H hybridizes ${d}_{xy}+{d}_{{x}^{2}\ensuremath{-}{y}^{2}}$ orbital, which donates nontrivial states, ${d}_{{z}^{2}}$ orbital withholds contribution site. Noticeably, (0.054 eV) ${\mathrm{Li}}_{2}\mathrm{Pd}$ (0.041 nearly half value Pt (0.09 eV), indicating an excellent activity. This work uncovers hybridization between adsorbate plays a vital role enhancing provides promising route design quantum catalysts.

Language: Английский

Citations

10
Double dual-nodal-line semimetals with large surface density of states: Topological quantum catalysts for the hydrogen-evolution reaction DOI
Xiaotian Wang, Lirong Wang,

Chengwu Xie

et al.

Physical Review Applied, Journal Year: 2023, Volume and Issue: 20(4)

Published: Oct. 17, 2023

Topological quantum catalysts are developing rapidly due to the emergence of exotic materials and their corresponding catalytic performance. Although tens thousands topological semimetals have been developed, low surface density states (DOSs) remains a hindrance development high-performance for electrochemical hydrogen evolution reactions (HERs). In this work, we investigate potential double dual-nodal line (DDNL) semimetals, which exhibit large DOSs fair-low Gibbs free energies, as ideal (TQCs) HER. Using $\mathrm{Na}\mathrm{Al}\mathrm{Ge}$ compound representative example, demonstrate that its DDNLs high around Fermi level provide advantages achieving exceptionally activity in HER process. Through comparison performance under different (electron hole) doping uniaxial strain conditions, establish linear correlation between energy ($\mathrm{\ensuremath{\Delta}}{G}_{{\mathrm{H}}^{\ensuremath{\ast}}}$) projected on (001) semi-infinite DDNL semimetal $\mathrm{Na}\mathrm{Al}\mathrm{Ge}$, specifically Our work introduces an alternative category TQCs noble metals contributes better understanding relationship semimetals.

Language: Английский

Citations

10
High-Performance Hydrogen Evolution Reaction Catalysts in Two-Dimensional Nodal Line Semimetals DOI
Lirong Wang, Min Zhao, Jianhua Wang

et al.

ACS Applied Materials & Interfaces, Journal Year: 2023, Volume and Issue: 15(44), P. 51225 - 51230

Published: Oct. 25, 2023

The discipline of topological quantum catalysts (TQCs) is developing due to the emergence exotic materials and their corresponding catalysts. Although a series 3D TQCs with different signatures are proposed, 2D in semimetals still rarely touched by others. As typical example, we proposed that nodal line semimetal Cu2Si monolayer superior TQC for hydrogen evolution reaction (HER). Using first-principles calculations, find exhibits two Γ-centered lines (L1 L2) kz = 0 plane. Gibbs free energy (ΔGH*) as low 0.195 eV, comparable Pt, better than other conventional Moreover, it found changing position (relative Fermi level) under electron/hole conditions can effectively affect catalytic activity HER. Besides Cu2Si, high HER performance semimetals, Ti3C2, Cr2S3, ScCl, CuSe, also theoretically determined. These results highlight critical role studying electrocatalytic mechanisms benefit seeking high-performance without noble metals on scale.

Language: Английский

Citations

10
Synergistic Effect of Topological Semimetal TiSi and Plasmonic Cu for Enhanced Photoelectrocatalytic Water Splitting of TiO2 Nanorod Array DOI
Zhengwang Cheng, Shengjia Li,

Yuan Cao

et al.

Inorganic Chemistry, Journal Year: 2025, Volume and Issue: unknown

Published: March 29, 2025

Developing high-efficiency and low-cost catalysts for PEC water splitting is vital solving the issues of energy consumption, environmental pollution, global warming. In this study, we designed prepared a composite photoanode TiO2/TiSi/Cu by depositing topological semimetal TiSi film plasmonic Cu nanoparticles onto TiO2 nanorod array. Due to synergistic effect bands SPR Cu, exhibits significantly enhanced optical absorption in visible-light region. Under wavelength (λ) > 420 nm light irradiation, photocurrent density reaches 4.46 mA cm-2 at 1.9 V vs RHE, about 17.84 times that pure TiO2. The carrier lifetime prolonged from 25.04 ns 31.13 TiO2/TiSi/Cu. Furthermore, demonstrates good long-term cyclic stability, with an average hydrogen production rate 8.12 μmol h-1. Our results indicate effective strategy enhance performance This approach could be applied other catalysts, providing new opportunities developing novel efficient catalysts.

Language: Английский

Citations

0
Light-propelled photocatalytic evaporator for robotic solar-driven water purification DOI Creative Commons
Dongdong Han, Qiang Wang,

Zhao‐Di Chen

et al.

PhotoniX, Journal Year: 2025, Volume and Issue: 6(1)

Published: April 9, 2025

Abstract Solar-driven interfacial water purification (SDIWP) has emerged as a green, cost-effective, and sustainable technology for waste/sea treatment. However, at present, innovative smart treatment systems that enable high-efficiency through multiform solar schemes are rare. Herein, we report light-propelled photocatalytic evaporator based on semi-metallic reduced graphene oxide (RGO)/ titanium carbide MXene-titanium dioxide (Ti 3 C 2 T x -TiO ) ternary hybrid foams multi-scheme SDIWP. The RGO/Ti foam is prepared by freeze-drying induced self-assembly (FDISA) of Ti (GO) nanosheets which an in-situ redox reaction between GO occurs TiO nanoparticles generated simultaneously. synergistic effect leads to the formation framework with Ti–O-C covalent bonding RGO . Under light irradiation, photogenerated carriers in can occupy quantum-confined graphene-like states average lifetime 0.8 ps, this value orders magnitude shorter than As result, shows degradation activity photothermal conversion ability, enabling Owing its excellent properties superfluidic structures, exhibits superior vapor generation performance (1.72 kg m –2 h –1 ). Furthermore, be remotely manipulated floating robot programmable navigation via Marangoni propulsion. This work provides new approach developing robotic SDIWP systems.

Language: Английский

Citations

0
Multi-dimensional inorganic electrides for energy conversion and storage DOI
Weizhen Meng, Jianhua Wang,

Xiaotian Wang

et al.

Journal of Materials Chemistry A, Journal Year: 2023, Volume and Issue: 12(5), P. 2583 - 2604

Published: Dec. 14, 2023

Multi-dimensional inorganic electrides exhibit outstanding advantages, including a low work function, high electron mobility, and superconductivity, etc. These properties render them promising for potential applications in the fields of ion batteries, electronic devices, catalysis.

Language: Английский

Citations

9
Unlocking Quantum Catalysis in Topological Trivial Materials: A Case Study of Janus Monolayer MoSMg DOI Creative Commons
Ying Yang,

Jialin Gong,

Xiaotian Wang

et al.

Small Science, Journal Year: 2024, Volume and Issue: unknown

Published: July 22, 2024

The emerging field of topological catalysis has received significant attention due to its potential for high‐performance catalytic activity in the hydrogen‐evolution reaction (HER). While materials often possess fragile surface states, trivial not only offer a larger pool candidates but also demonstrate robust states. As result, search catalysts expanded include schemes. In this study, novel 2D Janus monolayer, MoSMg, which demonstrates exceptional obstructed atomic insulating behavior, is presented. Crucially, metallic state exhibits clean leading enhancement performance HER electrochemical processes, particularly under high hydrogen coverage. Moreover, edge sites MoSMg monolayer exhibit even more superior activity, characterized by near‐zero Gibbs free energies. these findings, way paved exploring new avenues design quantum electrocatalysts, especially within realm materials.

Language: Английский

Citations

3
Anion-exchange synthesis of an MnCo2S4 electrocatalyst towards facilitated ultralong hydrogen evolution reaction in acidic and alkaline media DOI

Abu Talha Aqueel Ahmed,

Sankar Sekar,

Shubhangi Khadtare

et al.

CrystEngComm, Journal Year: 2023, Volume and Issue: 26(2), P. 215 - 222

Published: Dec. 4, 2023

Hydrogen (H 2 ) is deemed one of the prominent energy solutions 21st century owing to significant scientific and technological efforts devoted realization a renewable carbon-free H -based economy.

Language: Английский

Citations

8