1.2k citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- National Institute of Standards and TechnologyUS134 papers
- University of Maryland, College ParkUS31 papers
- Physical Measurement LaboratoryUS30 papers
- Theiss ResearchUS19 papers
- Joint Quantum InstituteUS12 papers
- Northwestern UniversityUS12 papers
- Argonne National LaboratoryUS11 papers
- NIST Center for Neutron ResearchUS11 papers
- Lawrence Berkeley National LaboratoryUS9 papers
- SLAC National Accelerator LaboratoryUS9 papers
- Princeton UniversityUS8 papers
- University of TorontoCA8 papers
9 papers · 1 filter
Cavity-Born Oppenheimer Approximation for Molecules and Materials via Electric Field Response
John Bonini, Iman Ahmadabadi, Johannes Flick
We present an ab initio method for computing vibro-polariton and phonon-polariton spectra of molecules and solids coupled to the photon modes of optical cavities. We demonstrate th…
Dual-comb Spectroscopy of Ammonia Formation in Non-thermal Plasmas
Ibrahim Sadiek, Adam J. Fleisher, Jakob Hayden +5
Plasma-activated chemical transformations promise the efficient synthesis of salient chemical products. However, the reaction pathways that lead to desirable products are often unk…
Interfacial water asymmetry at ideal electrochemical interfaces
Abhishek Shandilya, Kathleen Schwarz, Ravishankar Sundararaman
Controlling electrochemical reactivity requires a detailed understanding of the charging behavior and thermodynamics of the electrochemical interface. Experiments can independently…
High-resolution cavity ring-down spectroscopy of the combination band of methanol at 2.0 m
Hongming Yi, Adam J. Fleisher
Reported here are portions of the infrared absorption cross-section for methanol (CHOH) as measured by frequency-stabilized cavity ring-down spectroscopy (FS-CRDS) at wavelengt…
Spectroscopic Signature of Oxidized Oxygen States in Peroxides
Zengqing Zhuo, Chaitanya Das Pemmaraju, John Vinson +12
Recent debates on the oxygen redox behaviors in battery electrodes have triggered a pressing demand for the reliable detection and understanding of non-divalent oxygen states beyon…
Improving Accuracy of Electrochemical Capacitance and Solvation Energetics in First-Principles Calculations
Ravishankar Sundararaman, Kendra Letchworth-Weaver, Kathleen Schwarz
Reliable first-principles calculations of electrochemical processes require accurate prediction of the interfacial capacitance, a challenge for current computationally-efficient co…
Electrochemical Capacitance of CO-terminated Pt(111) is Dominated by CO-Solvent Gap
Ravishankar Sundararaman, Marta C. Figueiredo, Marc T. M. Koper +1
The distribution of electric fields within the electrochemical double layer depends on both the electrode and electrolyte in complex ways. These fields strongly influence chemical…
Evaluating continuum solvation models for the electrode-electrolyte interface: challenges and strategies for improvement
Ravishankar Sundararaman, Kathleen Schwarz
Ab initio modeling of electrochemical systems is becoming a key tool for understanding and predicting electrochemical behavior. Development and careful benchmarking of computationa…
Partial oxidation of Step-Bound Water Leads to Anomalous pH Effects on Metal Electrode Step-Edges
Kathleen Schwarz, Bingjun Xu, Yushan Yan +1
The design of better heterogeneous catalysts for applications such as fuel cells and electrolyzers requires a mechanistic understanding of electrocatalytic reactions and the depend…