Polarons in materials

C Franchini, M Reticcioli, M Setvin… - Nature Reviews Materials, 2021 - nature.com
Polarons are quasiparticles that easily form in polarizable materials due to the coupling of
excess electrons or holes with ionic vibrations. These quasiparticles manifest themselves in …

Fundamentals of TiO2 Photocatalysis: Concepts, Mechanisms, and Challenges

Q Guo, C Zhou, Z Ma, X Yang - Advanced Materials, 2019 - Wiley Online Library
Photocatalysis has been widely applied in various areas, such as solar cells, water splitting,
and pollutant degradation. Therefore, the photochemical mechanisms and basic principles …

CO Adsorbate Promotes Polaron Photoactivity on the Reduced Rutile TiO2(110) Surface

C Cheng, Y Zhu, WH Fang, R Long, OV Prezhdo - JACS Au, 2021 - ACS Publications
Polarons play a major role in determining the chemical properties of transition-metal oxides.
Recent experiments show that adsorbates can attract inner polarons to surface sites. These …

Time-domain view of polaron dynamics in metal oxide photocatalysts

C Cheng, Z Zhou, R Long - The Journal of Physical Chemistry …, 2023 - ACS Publications
The polaron is a fundamental physical phenomenon in transition metal oxides (TMOs), and it
has been studied extensively for decades. However, the implication of a polaron on …

Surface Hydroxylation during Water Splitting Promotes the Photoactivity of BiVO4(010) Surface by Suppressing Polaron-Mediated Charge Recombination

Y Zhang, C Cheng, Z Zhou, R Long… - The Journal of Physical …, 2023 - ACS Publications
Polaron-based electron transport restricts the photoelectrochemical (PEC) water splitting
efficiency of BiVO4. However, the location and dynamics of polarons are significantly …

[HTML][HTML] Origins of fast diffusion of water dimers on surfaces

W Fang, J Chen, P Pedevilla, XZ Li… - Nature …, 2020 - nature.com
The diffusion of water molecules and clusters across the surfaces of materials is important to
a wide range of processes. Interestingly, experiments have shown that on certain substrates …

[HTML][HTML] Atomic-scale manipulation of single-polaron in a two-dimensional semiconductor

H Liu, A Wang, P Zhang, C Ma, C Chen, Z Liu… - Nature …, 2023 - nature.com
Polaron is a composite quasiparticle derived from an excess carrier trapped by local lattice
distortion, and it has been studied extensively for decades both theoretically and …

Origin of the Adsorption-State-Dependent Photoactivity of Methanol on TiO2(110)

S Dong, J Hu, S Xia, B Wang, Z Wang, T Wang… - ACS …, 2021 - ACS Publications
Methanol has long been used as a hole scavenger in photocatalysis to improve charge
separation. Although the prototypical methanol/TiO2 (110) system shows salient adsorption …

[HTML][HTML] Machine learning-based prediction of polaron-vacancy patterns on the TiO2(110) surface

VC Birschitzky, I Sokolović, M Prezzi… - npj Computational …, 2024 - nature.com
The multifaceted physics of oxides is shaped by their composition and the presence of
defects, which are often accompanied by the formation of polarons. The simultaneous …

Tuning the Lifetime of Photoexcited Small Polarons on Rutile TiO2 Surface via Molecular Adsorption

C Gao, L Zhang, Q Zheng, J Zhao - The Journal of Physical …, 2021 - ACS Publications
TiO2 is a famous wide-bandgap semiconductor which has important applications in
photocatalysis and photovoltaics. In the solar energy conversion process, photoexcited …