Chemical Physics (physics.chem-ph)

Surface stratification determines the interfacial water structure of simple electrolyte solutions
The distribution of ions at the air/water interface plays a decisive role in many natural processes. Several studies have reported that …
Yair Litman, Kuo-Yang Chiang, Takakazu Seki, Yuki Nagata, Mischa Bonn
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Surface stratification determines the interfacial water structure of simple electrolyte solutions
Fully First-Principles Surface Spectroscopy with Machine Learning
Our current understanding of the structure and dynamics of aqueous interfaces at the molecular level has grown substantially in the …
Yair Litman, Jinggang Lan, Yuki Nagata, David M. Wilkins
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Fully First-Principles Surface Spectroscopy with Machine Learning
A Hybrid-DFT Study of Intrinsic Point Defects in MX2 (M=Mo, W; X=S, Se) Monolayers
Defects can strongly influence the electronic, optical and mechanical properties of 2D materials, making defect stability under …
Alaa Akkoush, Yair Litman, Mariana Rossi
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A Hybrid-DFT Study of Intrinsic Point Defects in MX2 (M=Mo, W; X=S, Se) Monolayers
First-Principles Simulations of Tip Enhanced Raman Scattering Reveal Active Role of Substrate on High-Resolution Images
Tip-enhanced Raman scattering (TERS) has emerged as a powerful tool to obtain subnanometer spatial resolution fingerprints of atomic …
Yair Litman, Franco P. Bonafé, Alaa Akkoush, Heiko Appel, Mariana Rossi
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First-Principles Simulations of Tip Enhanced Raman Scattering Reveal Active Role of Substrate on High-Resolution Images