Breaking the size limitation of nonadiabatic molecular dynamics in condensed matter systems with local descriptor machine learning

D Liu, B Wang, Y Wu, AS Vasenko… - Proceedings of the …, 2024 - pnas.org
Nonadiabatic molecular dynamics (NA-MD) is a powerful tool to model far-from-equilibrium
processes, such as photochemical reactions and charge transport. NA-MD application to …

[HTML][HTML] Harnessing high-energy MLCT excited states for artificial photosynthesis

A Cotic, I Ramírez-Wierzbicki, A Cadranel - Coordination Chemistry …, 2024 - Elsevier
Important fractions of the energy absorbed in natural and artificial photosynthetic schemes
are dissipated via fast internal conversion processes. In contrast, chromophores that …

Linker-Assisted Assembly of Ligand-Bridged CdS/MoS2 Heterostructures: Tunable Light-Harvesting Properties and Ligand-Dependent Control of Charge-Transfer …

ARM Rothfuss, JR Ayala, JV Handy… - … Applied Materials & …, 2023 - ACS Publications
We used linker-assisted assembly (LAA) to tether CdS quantum dots (QDs) to MoS2
nanosheets via L-cysteine (cys) or mercaptoalkanoic acids (MAAs) of varying lengths …

Electrochemical fingerprints of the electronic band structure of two-dimensional materials

M Velický - Current Opinion in Electrochemistry, 2025 - Elsevier
Abstract Two-dimensional (2D) materials and their unique tunable properties have
captivated scientists for two decades. Electrochemistry is a mature research field that has …

Quantifying interfacial energetics of 2D semiconductor electrodes using in situ spectroelectrochemistry and many-body theory

R Almaraz, T Sayer, J Toole, R Austin… - Energy & …, 2023 - pubs.rsc.org
Hot carrier extraction occurs in 2D semiconductor photoelectrochemical cells [Austin et al.,
Proc. Natl. Acad. Sci. USA, 2023, 120, e2220333120]. Boosting the energy efficiency of hot …

Trion formation resolves observed peak shifts in the optical spectra of transition-metal dichalcogenides

T Sayer, YR Farah, R Austin, J Sambur… - Nano Letters, 2023 - ACS Publications
Monolayer transition-metal dichalcogenides (ML-TMDs) have the potential to unlock novel
photonic and chemical technologies if their optoelectronic properties can be understood and …

Efficient Gate‐Tunable Hot‐Carrier Photocurrent from Perovskite Multiple Quantum Wells

C Wang, Q Wei, H Ren, KL Wong, Q Liu… - Advanced …, 2025 - Wiley Online Library
Hot‐carrier relaxation above the bandgap results in significant energy losses, making the
extraction of hot carriers a critical challenge for efficient hot‐carrier photocurrent generation …

Augmented Extraction Efficiency of a Hot D Exciton in MoS2 via Intervalley Scattering

TX Tran, YJ Jang, VT Vu, CW Jung, VD Do, Y **… - Nano Letters, 2024 - ACS Publications
Prolonging hot carrier cooling, a crucial factor in optoelectronic applications, including hot
carrier photovoltaics, presents a significant challenge. High-energy band-nesting excitons …

Short-wave infrared position-sensitive detector enabled by lateral diffusion of thermalized carriers in lead salts

R Ma, Z Cheng, S Wu, X Wu, M Qiu, L Wang… - Applied Physics …, 2023 - pubs.aip.org
Position-sensitive detector (PSD) plays a vital role in various applications, such as motion
tracking, pilotless automobile, laser radars, and precision machining. However, limited by …

Hiding in plain sight: The prevalence and impact of trions and Fermi polarons in transient absorption spectroscopy experiments of 2D semiconductors

R Austin, T Sayer, Y Farah… - The Journal of …, 2024 - pubs.aip.org
Transient absorption (TA) spectroscopy is one of the most popular experimental methods to
measure the excited state lifetimes and charge carrier recombination mechanisms in two …