Explanipedia

Surface structure of water from soft X-ray second harmonic generation Open

David J. Hoffman, Jacob A. Spies, Daniel Schacher, Alexandria Do, Franky Bernal , et al. · 2025

The microscopic structure of water’s surface is crucial to many natural and industrial processes, but studying its hydrogen bond (H-bond) network directly remains challenging due to the required interfacial sensitivity of experimental tech…

Spectroscopic Determination of Site-Selective Ligand Binding on Single Anisotropic Nanocrystals Open

Dong Le, Wade Shipley, Liya Bi, Yufei Wang, Krista P. Balto , et al. · 2025

Organic surface ligands are integral components of nanocrystals and nanoparticles that have a strong influence on their physicochemical properties, their interaction with the environment, and their ability to self-assemble and order into h…

Spectroscopic Determination of Site-Selective Ligand Binding on Single Anisotropic Nanocrystals Open

Dong Le, Wade Shipley, Alexandria Do, Liya Bi, Yufei Wang , et al. · 2025

Organic surface ligands are integral components of nanocrystals and nanoparticles that have a strong influence on their physicochemical properties, their interaction with the environment, and their ability to self-assemble and order into h…

Quantifying the Effect of Intermonomer Improper Angles on Electron Delocalization in Conjugated Polymers Open

Robert Ramji, Andrew T. Kleinschmidt, Shruti Bhamidipati, L. Zhang, Alexander X. Chen , et al. · 2025

Electron delocalization between monomers in conjugated polymers influences both the charge transport and the mechanical properties of this class of materials. While this delocalization is generally understood to be maximized by coplanar mo…

Single-Molecule Vibrational Characterization of Binding Geometry Effects on Isocyanide–Metal Interactions Open

Liya Bi, Zhe Wang, Krista P. Balto, Andrea R. Tao, Tod A. Pascal , et al. · 2025

Isocyanide-metal binding is governed by σ-donation and π-back-bonding, which affects the isocyanide stretching energy, a characteristic probe for ligand-metal interactions. While extensive correlations exist between structure and spectrosc…

Mechanism of Cationic Peptide‐Induced Assembly of Gold Nanoparticles: Modulation of Electrostatic Repulsion Open

Benjamin Lam, Robert Ramji, Margaret Mullooly, Kristina D. Closser, Tod A. Pascal , et al. · 2025

The aggregation of plasmonic nanoparticles can lead to new and controllable properties useful for numerous applications. We recently showed the reversible aggregation of gold nanoparticles (AuNPs) via a small, cationic di‐arginine peptide;…

Single-Molecule Vibrational Characterization of Binding Geometry Effects on Isocyanide-Metal Interactions Open

Liya Bi, Zhe Wang, Krista P. Balto, Andrea R. Tao, Tod A. Pascal , et al. · 2025

Isocyanide-metal binding is governed by sigma-donation and pi-back-bonding, which affects the energy of the isocyanide stretching mode-a characteristic probe for ligand-metal interactions. While extensive correlations exist between structu…

Molecular-Scale Insights into the Heterogeneous Interactions between an m-Terphenyl Isocyanide Ligand and Noble Metal Nanoparticles Open

Liya Bi, Yufei Wang, Zhe Wang, Alexandria Do, Alexander Fuqua , et al. · 2025

The structural and chemical properties of metal nanoparticles are often dictated by their interactions with molecular ligand shells. These interactions are highly material-specific and can vary significantly even among elements within the …

Mechanism of Cationic Peptide-Induced Assembly of Gold Nanoparticles: Modulation of Electrostatic Repulsion Open

Benjamin Lam, Robert Ramji, Margaret Mullooly, Kristina D. Closser, Tod A. Pascal , et al. · 2025

The aggregation of plasmonic nanoparticles can lead to new and controllable properties useful for numerous applications. We recently showed the reversible aggregation of gold nanoparticles (AuNPs) via a small, cationic di-arginine peptide;…

Facile Li-Ion Transport via LLTO Scaffold with Crosslinked Polyethylene Glycol Composite Electrolyte for Solid-State Batteries Open

Jungkuk Lee, Michael J. Counihan, Pallab Barai, Meghan Burns, Vibhu Vardhan Singh , et al. · 2025

Structure-Activity Relationships in Ether-Functionalized Solid-State Metal-Organic Framework Electrolytes Open

Anthony U. Mu, Vibhu Vardhan Singh, Hyunyong Kim, Dong Ju Lee, Namseo Kim , et al. · 2024

The structure-property relationships of metal-organic framework (MOF) based solid-state electrolytes are not well understood. Herein, a systematic investigation of twelve Zr(IV)-based UiO-66 MOFs with varying ether-chain functional groups …

Structure-Activity Relationships in Ether Functionalized, Solid-State Metal-Organic Framework Electrolytes Open

Anthony U. Mu, Vibhu Vardhan Singh, Hyunyong Kim, Dong Ju Lee, Namseo Kim , et al. · 2024

The structure-property relationships of metal-organic framework (MOF) based solid-state electrolytes are not well understood. Herein, a systematic investigation of twelve Zr(IV)-based UiO-66 MOFs with varying ether-chain functional groups …

Molecular-Scale Insights into the Heterogeneous Interactions Between an m-Terphenyl Isocyanide Ligand and Noble Metal Nanoparticles Open

Liya Bi, Yufei Wang, Zhe Wang, Alexandria Do, Alexander Fuqua , et al. · 2024

The structural and chemical properties of metal nanoparticles are often dictated by their interactions with molecular ligand shells. These interactions are highly material-specific and can vary significantly even among elements within the …

Molecular-Scale Visualization of Steric Effects of Ligand Binding to Reconstructed Au(111) Surfaces Open

Liya Bi, Sasawat Jamnuch, Amanda A. Chen, Alexandria Do, Krista P. Balto , et al. · 2024

Direct imaging of single molecules at nanostructured interfaces is a grand challenge with potential to enable new, precise material architectures and technologies. Of particular interest are the structural morphology and spectroscopic sign…

Toward a quantitative interfacial description of solvation for Li metal battery operation under extreme conditions Open

John Holoubek, Kunpeng Yu, Junlin Wu, Shen Wang, Mingqian Li , et al. · 2023

The future application of Li metal batteries (LMBs) at scale demands electrolytes that endow improved performance under fast-charging and low-temperature operating conditions. Recent works indicate that desolvation kinetics of Li + plays a…

Goldilocks Energy Minimum: Peptide-Based Reversible Aggregation and Biosensing Open

Wonjun Yim, Maurice Retout, Amanda A. Chen, Chuxuan Ling, Lubna Amer , et al. · 2023

Colorimetric biosensors based on gold nanoparticle (AuNP) aggregation are often challenged by matrix interference in biofluids, poor specificity, and limited utility with clinical samples. Here, we propose a peptide-driven nanoscale disass…

Molecular-Scale Visualization of Steric Effects of Ligand Binding to Reconstructed Au(111) Surfaces Open

Liya Bi, Sasawat Jamnuch, Amanda A. Chen, Alexandria Do, Krista P. Balto , et al. · 2023

Direct imaging of single molecules at nanostructured interfaces is a grand challenge, with potential to enable new, precise material architectures and technologies. Of particular interest are the structural morphology and spectroscopic sig…

Probing lithium mobility at a solid electrolyte surface Open

Clarisse Woodahl, Sasawat Jamnuch, Angelique Amado, Can Berk Uzundal, Emma Berger , et al. · 2023

Electronic signatures of Lorentzian dynamics and charge fluctuations in lithiated graphite structures Open

Sasawat Jamnuch, Tod A. Pascal · 2023

Active States During the Reduction of CO 2 by a MoS 2 Electrocatalyst Open

Khagesh Kumar, Sasawat Jamnuch, Leily Majidi, Saurabh N. Misal, Alireza Ahmadiparidari , et al. · 2023

Transition-metal dichalcogenides (TMDCs) such as MoS₂ are Earth-abundant catalysts that are attractive for many chemical processes, including the carbon dioxide reduction reaction (CO2RR). While many studies have correlated synt…

Electronic signatures of Lorentzian dynamics and charge fluctuations in lithiated graphite structures Open

Sasawat Jamnuch, Tod A. Pascal · 2023

Data source for work in Nature Communications Electronic signatures of Lorentzian dynamics and charge fluctuations in lithiated graphite structures

Electronic signatures of Lorentzian dynamics and charge fluctuations in lithiated graphite structures Open

Sasawat Jamnuch, Tod A. Pascal · 2023

Data source for work in Nature Communications Electronic signatures of Lorentzian dynamics and charge fluctuations in lithiated graphite structures

Electronic signatures of Lorentzian dynamics and charge fluctuations in lithiated graphite structures Open

Sasawat Jamnuch, Tod A. Pascal · 2023

Data source for work in Nature Communications Electronic signatures of Lorentzian dynamics and charge fluctuations in lithiated graphite structures

Nanoscale Surface Structure of Nanometer-Thick Ferroelectric BaTiO3 Films Revealed by Synchrotron X-ray Scanning Tunneling Microscopy: Implications for Catalytic Adsorption Reactions Open

Pedram Abbasi, Nozomi Shirato, Rishi E. Kumar, Isabel V. Albelo, Matthew R. Barone , et al. · 2023

Ferroelectric nanomaterials are of interest in catalysis, non-volatile memory, and neuromorphic computing among other applications because of their switchable structure that can alter electronic and interface properties of a single materia…

Agglomeration Drives the Reversed Fractionation of Aqueous Carbonate and Bicarbonate at the Air-water Interface Open

Shane W. Devlin, Amanda A. Chen, Sasawat Jamnuch, Qiang Xu, Jin Qian , et al. · 2023

In the course of our investigations of the adsorption of ions to the air-water interface, we previously reported the surprising result that doubly-charged carbonate anions exhibit a stronger surface affinity than do singly-charged bicarbon…

Investigation of local distortion effects on X-ray absorption of ferroelectric perovskites from first principles simulations Open

Pedram Abbasi, David P. Fenning, Tod A. Pascal · 2023

We investigate ferroelectric local distortion in BaTiO 3 with two widely used computational approaches with different treatments of many-body excitation effects.

Molecular Insights Into the Physics of Poly(amidoamine)-Dendrimer-Based Supercapacitors Open

Tarun Maity, Mounika Gosika, Tod A. Pascal, Prabal K. Maiti · 2022

Increasing the energy density in electric double-layer capacitors (EDLCs), also known as supercapacitors, remains an active area of research. Specifically, there is a need to design and discover electrode and electrolyte materials with enh…

Molecular insights into the physics of poly(amidoamine)-dendrimer-based supercapacitors Open

Tarun Maity, Mounika Gosika, Tod A. Pascal, Prabal K. Maiti · 2022

Increasing the energy density in electric double layer capacitors (EDLCs), also known as supercapacitors, remains an active area of research. Specifically, there is a need to design and discover electrode and electrolyte materials with enh…

Oxidative Stabilization of Dilute Ether Electrolytes Via Anion Modification Open

John Holoubek, Qizhang Yan, Haodong Liu, Emma Hopkins, Zhaohui Wu , et al. · 2022

State of the art Li metal batteries typically rely on ether electrolytes with high salt concentration and/or fluorinated solvents to enable stable cycling. Their high manufacturing costs at scale have motivated us to consider dilute, non-f…

Saturable Absorption of Free-Electron Laser Radiation by Graphite near the Carbon K-Edge Open

Lars Hoffmann, Sasawat Jamnuch, Craig P. Schwartz, Tobias Helk, Sumana L. Raj , et al. · 2022

The interaction of intense light with matter gives rise to competing nonlinear responses that can dynamically change material properties. Prominent examples are saturable absorption (SA) and two-photon absorption (TPA), which dynamically i…

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