382 citations · 762 across the 21 of their papers we have counts for
7 papers · 1 filter
Breaking the Air-Water Paradigm: Ion Behavior at Hydrophobic Solid-Water Interfaces
Xavier R. Advincula, Kara D. Fong, Yongkang Wang +4
Hydrophobic solid-water interfaces underpin processes in nanofluidics, electrochemistry, and energy technologies. Microscopic insights into these systems are often inferred from ou…
Wetting Transparency of Graphene: A macroscopic Window but Nanoscopic Mirror
Yongkang Wang, Yair Litman, Minhaeng Cho +2
Graphene supported on a substrate in contact with water underpins a wide range of processes and technologies, yet its wettability remains controversial. Understanding how substrate…
Explaining Principles of Tip-Enhanced Raman Images with Ab Initio Modeling
Krystof Brezina, Yair Litman, Mariana Rossi
Tip-enhanced Raman spectroscopy (TERS) is a powerful method for imaging vibrational motion and chemically characterizing surface-bound systems. Theoretical simulations of TERS imag…
Reevaluating Anomalous Electric Fields at the Air-Water Interface: A Surface-Specific Spectroscopic Survey
Joseph C. Shirley, Zi Xuan Ng, Kuo-Yang Chiang +4
The notion that large electric fields at the air-water interface catalyze spontaneous chemical reactions has sparked significant debate, with far reaching implications for atmosphe…
How reactive is water at the nanoscale and how to control it?
Xavier R. Advincula, Yair Litman, Kara D. Fong +3
Nanoconfined water plays a key role in nanofluidics, electrochemistry, and catalysis, yet its reactivity remains a matter of debate. Prior studies have reported both enhanced and s…
Entropy governs the structure and reactivity of water dissociation under electric fields
Yair Litman, Angelos Michaelides
The response of water to electric fields is critical to the performance and stability of electrochemical devices, and the selectivity of enzymatic, atmospheric, and organic reactio…
Roadmap on Advancements of the FHI-aims Software Package
Joseph W. Abbott, Carlos Mera Acosta, Alaa Akkoush +203
Electronic-structure theory is the foundation of the description of materials including multiscale modeling of their properties and functions. Obviously, without sufficient accurac…