David Prendergast
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View article: Prostate MR image segmentation using a multi-stage network approach
Prostate MR image segmentation using a multi-stage network approach Open
Prostate cancer (PCa) remains one of the most prevalent cancers among men, with over 1.4 million new cases and 375,304 deaths reported globally in 2020. Current diagnostic approaches, such as prostate-specific antigen (PSA) testing and tra…
View article: Deriving effective electrode-ion interactions from free-energy profiles at electrochemical interfaces
Deriving effective electrode-ion interactions from free-energy profiles at electrochemical interfaces Open
Understanding ion adsorption at electrified metal-electrolyte interfaces is essential for accurate modeling of electrochemical systems. Here, we systematically investigate the free energy profiles of Na$^+$, Cl$^-$, and F$^-$ ions at the A…
View article: Cooperative Role of Mixed Solvent in the Evaporation-Induced Self-Assembly of Polypeptoid Nanocrystals
Cooperative Role of Mixed Solvent in the Evaporation-Induced Self-Assembly of Polypeptoid Nanocrystals Open
Peptoids, or polypeptoids, are biomimetic polymers that can self-assemble into nanocrystals for biomedical and biotechnological applications. Polypeptoid nanocrystals can be prepared by evaporation-induced self-assembly, but the roles of s…
View article: Prostate MR Image Segmentation Using a Multi-Stage Network Approach
Prostate MR Image Segmentation Using a Multi-Stage Network Approach Open
Prostate cancer (PCa) remains one of the most prevalent cancers among men, with over 1.4 million new cases and 375,304 deaths reported globally in 2020. Current diagnostic approaches, such as prostate specific antigen (PSA) testing and tra…
View article: Formation of hydrided Pt-Ce-H sites in efficient, selective oxidation catalysts
Formation of hydrided Pt-Ce-H sites in efficient, selective oxidation catalysts Open
Single-atom site catalysts can improve the rates and selectivity of many catalytic reactions. We have modified Pt 1 /CeO 2 single sites by combining them with molecular groups and with oxygen vacancies of the support. The new sites include…
View article: Microwave-assisted intercalation: exploring electronic and structural features of metastable MMo<sub>6</sub>S<sub>8</sub> (M = Ag, Sn)
Microwave-assisted intercalation: exploring electronic and structural features of metastable MMo<sub>6</sub>S<sub>8</sub> (M = Ag, Sn) Open
This study presents a facile method to synthesize Type I Chevrel phases and utilizes X-ray absorption spectroscopy to reveal how intercalant identity can modify charge transfer and cluster anisotropy.
View article: NEXAFS spectroscopy of alkylated benzothienobenzothiophene thin films at the carbon and sulfur K-edges
NEXAFS spectroscopy of alkylated benzothienobenzothiophene thin films at the carbon and sulfur K-edges Open
Alkylated benzothienobenzothiophenes are an important class of organic semiconductors that exhibit high performance in solution-processed organic field-effect transistors. In this work, we study the near-edge x-ray absorption fine-structur…
View article: Atomic-Scale Imaging of Condensed Counterions
Atomic-Scale Imaging of Condensed Counterions Open
The functioning of a wide variety of charged macromolecules, from DNA to fuel cell membranes, is dependent on how the counterions surrounding them are arranged. In order to decrease Coulombic repulsion, some of the fixed charges on these m…
View article: Evaluating Cryo‐TEM Reconstruction Accuracy of Self‐Assembled Polymer Nanostructures
Evaluating Cryo‐TEM Reconstruction Accuracy of Self‐Assembled Polymer Nanostructures Open
Cryogenic transmission electron microscopy (cryo‐TEM) combined with single particle analysis (SPA) is an emerging imaging approach for soft materials. However, the accuracy of SPA‐reconstructed nanostructures, particularly those formed by …
View article: Unleashing the Potential of Fast Charging Batteries: Leveraging Anion Redox Chemistry in Ni- and Co-Free Cathodes
Unleashing the Potential of Fast Charging Batteries: Leveraging Anion Redox Chemistry in Ni- and Co-Free Cathodes Open
Designing Li-ion battery cathodes free from critical raw materials such as Co and Ni has a huge technological and societal impact. Though anion redox-based Li-rich oxide cathodes allow designing Co and Ni free cathode compositions, the Li-…
View article: Achieving the hydrogen shot: Interrogating ionomer interfaces
Achieving the hydrogen shot: Interrogating ionomer interfaces Open
The aim of this study is to enable the hydrogen economy and decarbonize various sectors in our environment that requires less expensive and more durable water electrolyzers, which can meet the Hydrogen-Shot target. The key is to improve th…
View article: Unveiling Highly Sensitive Active Site in Atomically Dispersed Gold Catalysts for Enhanced Ethanol Dehydrogenation
Unveiling Highly Sensitive Active Site in Atomically Dispersed Gold Catalysts for Enhanced Ethanol Dehydrogenation Open
Developing a desirable ethanol dehydrogenation process necessitates a highly efficient and selective catalyst with low cost. Herein, we show that the “complex active site” consisting of atomically dispersed Au atoms with the neighboring ox…
View article: Unveiling Highly Sensitive Active Site in Atomically Dispersed Gold Catalysts for Enhanced Ethanol Dehydrogenation
Unveiling Highly Sensitive Active Site in Atomically Dispersed Gold Catalysts for Enhanced Ethanol Dehydrogenation Open
Developing a desirable ethanol dehydrogenation process necessitates a highly efficient and selective catalyst with low cost. Herein, we show that the “complex active site” consisting of atomically dispersed Au atoms with the neighboring ox…
View article: Thermodynamic Driving Forces for the Self-Assembly of Diblock Polypeptoids
Thermodynamic Driving Forces for the Self-Assembly of Diblock Polypeptoids Open
Peptoid polymers with sequence-defined side chains are observed to self-assemble into a variety of structures spanning nanometer and micron scales. We explored a diblock copolypeptoid, poly(N-decylglycine)10-block-…
View article: Solar enhanced oxygen evolution reaction with transition metal telluride
Solar enhanced oxygen evolution reaction with transition metal telluride Open
The photo-enhanced electrocatalytic method of oxygen evolution reaction (OER) shows promise for enhancing the effectiveness of clear energy generation through water splitting by using renewable and sustainable source of energy. However, de…
View article: Design Principles of Diketopyrrolopyrrole‐Thienopyrrolodione Acceptor<sub>1</sub>–Acceptor<sub>2</sub> Copolymers
Design Principles of Diketopyrrolopyrrole‐Thienopyrrolodione Acceptor<sub>1</sub>–Acceptor<sub>2</sub> Copolymers Open
The design principles of acceptor 1 –acceptor 2 copolymers featuring alternating diketopyrrolopyrrole (DPP) and thienopyrrolodione (TPD) moieties are investigated. The investigated series of polymers is obtained by varying the aromatic lin…
View article: Ca-dimers, solvent layering, and dominant electrochemically active species in Ca(BH4)2 in THF
Ca-dimers, solvent layering, and dominant electrochemically active species in Ca(BH4)2 in THF Open
Divalent ions (Mg, Ca, and Zn) are being considered as competitive, safe, and earth-abundant alternatives to Li-ion electrochemistry, but present challenges for stable cycling due to undesirable interfacial phenomena. We explore the format…
View article: Atomically synergistic Zn-Cr catalyst for iso-stoichiometric co-conversion of ethane and CO2 to ethylene and CO
Atomically synergistic Zn-Cr catalyst for iso-stoichiometric co-conversion of ethane and CO2 to ethylene and CO Open
Developing atomically synergistic bifunctional catalysts relies on the creation of colocalized active atoms to facilitate distinct elementary steps in catalytic cycles. Herein, we show that the atomically-synergistic binuclear-site catalys…
View article: Understanding 2p core-level excitons of late transition metals by analysis of mixed-valence copper in a metal–organic framework
Understanding 2p core-level excitons of late transition metals by analysis of mixed-valence copper in a metal–organic framework Open
We simulated XAS with LR-TDDFT for Cu 2+ /Cu + in MOF Cu I -MFU-4 l and revealed a larger 2p core-exciton binding energy for Cu 2+ , finding that corrections with self-consistent excited-state total energy differences provide accurate XAS …
View article: Modulation of electrocatalytic activity by tuning anion electronegativity: case study with copper chalcogenides
Modulation of electrocatalytic activity by tuning anion electronegativity: case study with copper chalcogenides Open
Anion-tuning in metallic chalcogenides has been shown to have a significant impact on their electrocatalytic ability for overall water splitting. In this article, copper-based chalcogenides (Cu 2 X, X = O, S, Se, and Te) have been systemat…
View article: Direct Observation of Enhanced Electron-Phonon Coupling in Copper Nanoparticles in the Warm-Dense Matter Regime
Direct Observation of Enhanced Electron-Phonon Coupling in Copper Nanoparticles in the Warm-Dense Matter Regime Open
Warm dense matter (WDM) represents a highly excited state that lies at the intersection of solids, plasmas, and liquids and that cannot be described by equilibrium theories. The transient nature of this state when created in a laboratory, …
View article: The Structural Evolution of Polypeptoid Nanofibers Revealed by 3-D Cryo-TEM
The Structural Evolution of Polypeptoid Nanofibers Revealed by 3-D Cryo-TEM Open
Journal Article The Structural Evolution of Polypeptoid Nanofibers Revealed by 3-D Cryo-TEM Get access Tianyi Yu, Tianyi Yu Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA, USAMolecular Foundry, Lawrence Be…
View article: Atomic-scale Imaging Polypeptoid Crystals with Varying Molecular Side Chains
Atomic-scale Imaging Polypeptoid Crystals with Varying Molecular Side Chains Open
Journal Article Atomic-scale Imaging Polypeptoid Crystals with Varying Molecular Side Chains Get access Morgan Seidler, Morgan Seidler Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA, United StatesDepartmen…
View article: Atomic-Scale Corrugations in Crystalline Polypeptoid Nanosheets Revealed by Three-Dimensional Cryogenic Electron Microscopy
Atomic-Scale Corrugations in Crystalline Polypeptoid Nanosheets Revealed by Three-Dimensional Cryogenic Electron Microscopy Open
Amphiphilic molecules that can crystallize often form molecularly thin nanosheets in aqueous solutions. The possibility of atomic-scale corrugations in these structures has not yet been recognized. We have studied the self-assembly of amph…
View article: Ca-dimers and solvent layering determine electrochemically active species in Ca(BH4)2 in THF
Ca-dimers and solvent layering determine electrochemically active species in Ca(BH4)2 in THF Open
Divalent ions, such as Mg, Ca, and Zn, are being considered as competitive, safe, and earth-abundant alternatives to Li-ion electrochemistry. However, the challenge remains to match elec- trode and electrolyte materials that stably cycle w…
View article: Electrolyte Design for Multivalent Metal Battery Interphases
Electrolyte Design for Multivalent Metal Battery Interphases Open
View article: Erratum: Cooperative Gas Adsorption without a Phase Transition in Metal-Organic Frameworks [Phys. Rev. Lett. <b>121</b>, 015701 (2018)]
Erratum: Cooperative Gas Adsorption without a Phase Transition in Metal-Organic Frameworks [Phys. Rev. Lett. <b>121</b>, 015701 (2018)] Open
This corrects the article DOI: 10.1103/PhysRevLett.121.015701.
View article: Ca-dimers, solvent layering, and dominant electrochemically active species in Ca(BH$_4$)$_2$ in THF
Ca-dimers, solvent layering, and dominant electrochemically active species in Ca(BH$_4$)$_2$ in THF Open
Divalent ions, such as Mg, Ca, and Zn, are being considered as competitive, safe, and earth-abundant alternatives to Li-ion electrochemistry. However, the challenge remains to match electrode and electrolyte materials that stably cycle wit…
View article: Structural Elucidation of a Polypeptoid Chain in a Crystalline Lattice Reveals Key Morphology-Directing Role of the N-Terminus
Structural Elucidation of a Polypeptoid Chain in a Crystalline Lattice Reveals Key Morphology-Directing Role of the N-Terminus Open
The ability to engineer synthetic polymers with the same structural precision as biomacromolecules is crucial to enable the de novo design of robust nanomaterials with biomimetic function. Peptoids, poly(N-substituted) glycin…
View article: Investigating the Electronic Structure of Prospective Water-Splitting Oxide BaCe<sub>0.25</sub>Mn<sub>0.75</sub>O<sub>3−δ</sub> before and after Thermal Reduction
Investigating the Electronic Structure of Prospective Water-Splitting Oxide BaCe<sub>0.25</sub>Mn<sub>0.75</sub>O<sub>3−δ</sub> before and after Thermal Reduction Open
BaCe0.25Mn0.75O3-δ(BCM), a non-stoichiometric oxide with a layered perovskite-like crystal structure, has recently emerged as a prospective contender for application in renewable energy harvesting by solar …