Non-linear Vibrational Spectroscopy

Feb 1, 2022

My research on this area has led to the following publications

Yair Litman
Yair Litman
Research Fellow

Publications

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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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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The Surface of Electrolyte Solutions is Stratified
The distribution of ions at the air/water interface plays a decisive role in many natural processes. It is generally understood that …
Yair Litman, Kuo-Yang Chiang, Takakazu Seki, Yuki Nagata, Mischa Bonn
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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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Is Unified Understanding of Vibrational Coupling of Water Possible? Hyper-Raman Measurement and Machine Learning Spectra
The impact of the vibrational coupling of the OH stretch mode on the spectra differs significantly between IR and Raman spectra of …
Kazuki Inoue, Yair Litman, David M. Wilkins, Yuki Nagata, Masanari Okuno
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Charge Transfer-Mediated Dramatic Enhancement of Raman Scattering upon Molecular Point Contact Formation
Charge-transfer enhancement of Raman scattering plays a crucial role in current-carrying molecular junctions. However, the microscopic …
Borja Cirera, Yair Litman, Chenfang Lin, Alaa Akkoush, Adnan Hammud, Martin Wolf, Mariana Rossi, Takashi Kumagai
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Temperature dependence of the vibrational spectrum of porphycene: a qualitative failure of classical-nuclei molecular dynamics
The temperature dependence of vibrational spectra can provide information about structural changes of a system and also serve as a …
Yair Litman, Jörg Behler, Mariana Rossi
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Elucidating the Nuclear Quantum Dynamics of Intramolecular Double Hydrogen Transfer in Porphycene
We address the double hydrogen transfer (DHT) dynamics of the porphycene molecule, a complex paradigmatic system in which the making …
Yair Litman, Jeremy O. Richardson, Takashi Kumagai, Mariana Rossi
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