Atomically thin 2D transition metal oxides: Structural reconstruction, interaction with substrates, and potential applications

T Yang, TT Song, M Callsen, J Zhou… - Advanced Materials …, 2019 - Wiley Online Library
The discovery of graphene has stimulated dramatic research interest on other 2D materials
including transition metal oxide (TMO) monolayers in order to realize novel functionalization …

Recent advancements in surface plasmon resonance and Schottky junction assisted photocatalytic water splitting of noble metal decorated Titania: a review

T Deka, RG Nair - International Journal of Hydrogen Energy, 2024 - Elsevier
In the current global energy crises, green H 2-production via photocatalytic water splitting is
one of the emerging and sustainable techniques. Accordingly, engineering a promising …

Interface structure prediction via CALYPSO method

B Gao, P Gao, S Lu, J Lv, Y Wang, Y Ma - Science Bulletin, 2019 - Elsevier
The atomistic structures of solid–solid interfaces are of fundamental interests for
understanding physical properties of interfacial materials. However, determination of …

[HTML][HTML] Challenges in band alignment between semiconducting materials: A case of rutile and anatase TiO2

D Zhang, S Dong - Progress in Natural Science: Materials International, 2019 - Elsevier
This topical review focuses on the recently active debate on the band alignment between
two polymorphs of TiO 2, rutile and anatase. A summary is given to the popular methods for …

Metastability at defective metal oxide interfaces and nanoconfined structures

V Esposito, IE Castelli - Advanced Materials Interfaces, 2020 - Wiley Online Library
Most of the paradigms in materials science and technology firmly rely on equilibrium
materials, ie, phases with the lowest Gibbs energy under thermodynamic conditions. In …

Direct-gap semiconducting tri-layer silicene with 29% photovoltaic efficiency

J Lv, M Xu, S Lin, X Shao, X Zhang, Y Liu, Y Wang… - Nano Energy, 2018 - Elsevier
Crystalline silicon is dominating the current solar cell market due to the significant efficiency
improvement and cost reduction in last decades. However, its indirect band gap nature …

Linear Correlations between Adsorption Energies and HOMO Levels for the Adsorption of Small Molecules on TiO2 Surfaces

T Kamachi, T Tatsumi, T Toyao, Y Hinuma… - The Journal of …, 2019 - ACS Publications
Adsorption is a fundamental step in catalysis on a solid surface, and therefore, its
understanding is important for explaining its behavior. This work investigated the adsorption …

Identifying the ground-state NP sheet through a global structure search in two-dimensional space and its promising high-efficiency photovoltaic properties

Y Chen, Z Lao, B Sun, X Feng, SAT Redfern… - ACS Materials …, 2019 - ACS Publications
Recently fabricated two-dimensional (2D) black phosphorene (BP) is considered to be a
promising optoelectronic sheet, but its applications are hindered by the poor stability in air …

Exploring a novel two-dimensional metallic Y 4 C 3 sheet applied as an anode material for sodium-ion batteries

Y Cui, H Qin, P Kong, J Chen, X Cai… - Physical Chemistry …, 2022 - pubs.rsc.org
As novel “post lithium-ion batteries” and promising alternatives to lithium-ion batteries (LIBs)
suffering from the limited Li resources, sodium-ion batteries (SIBs) are nowadays emerging …