Journal

The Journal of Physical Chemistry C

OpenAlex S95739953

Published here

147 counted works of 148 linked

YearTitleAcademicsSources
2026 Adapted Cell Design for the Operando X‑Ray Absorption Study of a Structurally Evolving Cu Nanoparticle Ensemble during the CO2 Electroconversion to … Yao Yang GS
2026 ALD with Alternative Coreactants: Which Work, Which Do Not, and Why Robert A. DiStasio Jr. OA GS
2026 Band-like Optical Signatures of Ti 3 C 2 T x MXenes Zahra Fakhraai OA GS
2026 Leveraging Multiproton-Coupled Electron Transfer to Improve Ir(III) Photocatalyst Efficiency Robert Knowles OA GS
2026 The Effect of Nanoparticle Shape, Orientation, and Heterogeneity on the Optical Birefringence of Polymer Nanocomposites Zahra Fakhraai OA GS
2026 The Impact of Silanol Defects on the Properties of Zeolite-Based Microporous Water Jarad Mason OA GS
2025 An Integrative Statistical Approach for Analyzing Photoluminescence Fluctuations in Single CsPbBr3 Quantum Dots Ou Chen GS
2025 Computational Optimization of Room Temperature Usable Capacity for Hydrogen Storage in MFU-4-Type Metal–Organic Frameworks via Pairwise Metal Substitutions Jeffrey R. Long CV
2025 Plasmon Dynamics Driven by Aggregation of Tris(2,2′-bipyridine)ruthenium(II)-Functionalized Gold Nanoparticles Probed by XANES and Transient Absorption Spectroscopy Emily Sprague-Klein CV OA GS
2024 High Throughout Guided One Pot Synthesis of Cyan Emitting ZnCdSSe Quantum Dots for Human Centric Lighting Jonathan S. Owen CV
2024 Interfacial proton-coupled electron transfer via localized trap states on metal oxide surfaces Sharon Hammes-Schiffer CV
2024 Optical properties of defects in solids via quantum embedding with good active space orbitals Timothy C Berkelbach GS
2024 Theoretical analysis of hydrogen underpotential deposition on Pt(111) under alkaline conditions Sharon Hammes-Schiffer CV
2023 Access and Capture of Layered Double Perovskite Polytypic Phase through High-Pressure Engineering Ou Chen CV GS
2023 Anion exchange membrane water electrolysis: the future of green hydrogen Yao Yang GS
2023 Assessment of Adsorbate π-backbonding in Copper(I) Metal–Organic Frameworks via Multinuclear NMR Spectroscopy and Density Functional Theory Calculations Jeffrey R. Long CV
2023 Bridging Structure, Magnetism, and Disorder in Iron-Intercalated Niobium Diselenide, Fe𝑥NbSe2, below 𝑥= 0.25 Lilia Xie CV OA GS
2023 Controlling Hydricity of Adsorbed Catalysts with Applied Electric Fields Tianquan “Tim” Lian CV OA
2023 Density matrix-based features as descriptors for oxygen reduction and evolution catalysts Sharon Hammes-Schiffer CV
2023 Excitons and their fine structure in lead halide perovskite nanocrystals from atomistic GW/BSE calculations Timothy C Berkelbach GS
2023 Post-Synthetic Doping and Ligand Engineering of Cs2AgInCl6 Double Perovskite Nanocrystals Ou Chen CV GS
2023 Spin-Based Chiral Separations and the Importance of Molecule–Solvent Interactions Joseph Subotnik CV GS
2023 Thermally Tunable Adsorption of Xenon in Crystalline Molecular Sorbent Ivan J. Dmochowski OA GS
2023 Unlocking the Facet-Dependent Ligand Exchange on Rutile TiO2 of a Rhenium Bipyridyl Catalyst for CO2 Reduction Tianquan “Tim” Lian CV OA
2022 Heterogeneity in Dynamic Metamolecules Zahra Fakhraai OA GS
2022 La-based perovskite oxide catalysts for alkaline oxygen reduction: The importance of electrochemical stability Yao Yang GS
2022 Toward Metal-free Photocatalysis: Photochemical Regeneration of Organic Hydride Donors Using Phenazine-Based Photosensitizers Emily Sprague-Klein CV OA GS
2021 An All-atom Theory of Electron Transfer at the Nanocrystal/Molecule Interfaces: A Hybrid LCAO/DFT Approach Tianquan “Tim” Lian CV OA
2021 Competing HCOOH and CO Pathways in CO2 Electroreduction at Copper Electrodes: Calculations of Voltage- Dependent Activation Energy Christoph Rose-Petruck CV OA GS
2021 Electronic Structure for Multielectronic Molecules Near a Metal Surface Joseph Subotnik CV GS
2021 Fast Lifetime Blinking in Compact CdSe/CdS Core/Shell Quantum Dots Ou Chen CV GS
2021 Modulating the Electron Affinity of Small Bipyridyl Molecules on Single Gold Nanoparticles for Plasmon-Driven Electron Transfer Emily Sprague-Klein CV OA GS
2021 Multicapacitor approach to interfacial proton-coupled electron transfer thermodynamics at constant potential Sharon Hammes-Schiffer CV
2021 Optical Magnetic Multipolar Resonances in Large Dynamic Metamolecules Zahra Fakhraai OA GS
2020 Distinct Optical Magnetism in Gold and Silver Probed by Dynamic Metamolecules Zahra Fakhraai OA GS
2020 Light-dependent impedance spectra and transient photoconductivity in a ruddlesden–popper 2D Lead–halide perovskite revealed by electrical scanned probe microscopy and … John A. Marohn GS
2020 Spatial and spectral super-resolution imaging for characterizing multichromophoric systems Laura J. Kaufman GS
2020 Theory of electrochemical proton-coupled electron transfer in diabatic vibronic representation: Application to proton discharge on metal electrodes in alkaline solution Sharon Hammes-Schiffer CV GS
2019 Addition to “Assessment of Constant-Potential Implicit Solvation Calculations of Electrochemical Energy Barriers for H2 Evolution on Pt” related record Christoph Rose-Petruck CV OA GS
2019 Bimodal Bandgaps in Mixed Cesium Methylammonium Lead Bromide Perovskite Single Crystals Xiaoyang Zhu OA GS
2019 CO2 adsorption on Ti3O6 –: A novel carbonate binding motif Marissa Weichman CV OA
2019 Combined NMR and Molecular Dynamics Study of Methane Adsorption in M2(dobdc) Metal-Organic Frameworks Jeffrey R. Long CV
2019 Complex photophysical behaviors affect single conjugated molecule optical anisotropy measurements Laura J. Kaufman GS
2019 Determining the Spheroid Geometry of Individual Metallic Nanoparticles by Two-Dimensional Single-Particle Dynamic Light Scattering Tom Muir CV OA
2019 Effect of Surface Ligand on Charge Separation and Recombination at CsPbI3 Perovskite Quantum Dot/TiO2 Interfaces Tianquan “Tim” Lian CV OA
2019 Ligand effect on the electronic structure of cobalt sulfide clusters: A combined experimental and theoretical study Xavier Roy GS
2019 Maximizing Thermoelectric Figures of Merit by Uniaxially Straining Indium Selenide Brenda Rubenstein CV OA GS
2019 Modeling Electron Transfer in Diffusive Multidimensional Electrochemical Systems Joseph Subotnik; Sharon Hammes-Schiffer CV GS
2019 Nearly isotropic conjugated polymer aggregates with efficient local exciton diffusion Laura J. Kaufman GS
2019 Substrate-dependent photoconductivity dynamics in a high-efficiency hybrid perovskite alloy John A. Marohn GS
2019 Theory of proton discharge on metal electrodes: Electronically adiabatic model Sharon Hammes-Schiffer CV GS
2019 Unraveling the fate of host excitons in host–guest phosphorescent organic light-emitting diodes Tianyu Zhu GS
2018 Assessment of Constant-Potential Implicit Solvation Calculations of Electrochemical Energy Barriers for H2 Evolution on Pt Christoph Rose-Petruck CV OA GS
2018 Competition Between Hot-Electron Cooling and Large Polaron Screening in CsPbBr 3 Perovskite Single Crystals Xiaoyang Zhu OA GS
2018 Controlling Magnetic Dipole Resonance in Raspberry-like Metamolecules Zahra Fakhraai CV OA GS
2018 Dopant-Dependent SFG Response of Rhenium CO2 Reduction Catalysts Chemisorbed on SrTiO3 (100) Single Crystals Tianquan “Tim” Lian CV OA
2018 Elucidating Surface Restructuring-Induced Catalytic Reactivity of Cobalt Phosphide Nanoparticles Under Electrochemical Conditions Hailiang Wang GS
2018 Mechanism of Efficient Viologen Radical Generation by Ultrafast Electron Transfer from CdS Quantum Dots Tianquan “Tim” Lian CV OA
2018 Quantum Confinement Theory of Auger-Assisted Biexciton Recombination Dynamics in Type-I and Quasi Type-II Quantum Dots Tianquan “Tim” Lian CV OA
2018 Shell Thickness Dependent Bi-exciton Lifetime in Type I and Quasi-type II CdSe@CdS Core/Shell Quantum Dots Tianquan “Tim” Lian CV OA
2018 Solvent effects on molecular adsorption on Ag surfaces: polyvinylpyrrolidone oligomers Xin Qi GS
2018 Structural Evolution of Gold-Doped Bismuth Clusters AuBin− (n = 4−8) Lai-Sheng Wang CV
2018 Theoretical perspectives on the influence of solution-phase additives in shape-controlled nanocrystal synthesis Xin Qi GS
2017 Adsorption of carbon tetrahalides on coronene and graphene Joonho Lee GS
2017 Fabrication of Gold Nanosphere Oligomers for Surface-Enhanced Femtosecond Stimulated Raman Spectroscopy Emily Sprague-Klein CV OA GS
2017 Highly anisotropic conjugated polymer aggregates: preparation and quantification of physical and optical anisotropy Laura J. Kaufman GS
2017 Interfacial Structure and Electric Field Probed by in situ Electrochemical Vibrational Stark Effect Spectroscopy and Computational Modeling Tianquan “Tim” Lian CV OA
2017 Mechanistic Insights into Surface Chemical Interactions Between Lithium Polysulfides and Transition Metal Oxides Hailiang Wang GS
2017 Probing the Structural Evolution of Gold-Aluminium Bimetallic Clusters (Au2Aln−, n = 3−11) Using Photoelectron Spectroscopy and Theoretical Calculations Lai-Sheng Wang CV
2017 Probing the Structures of Neutral B11 and B12 Using High Resolution Photoelectron Imaging of B11− and B12− Lai-Sheng Wang CV
2017 The Tunable and Highly Selective Reduction Products on Ag@ Cu Bimetallic Catalysts Towards CO2 Electrochemical Reduction Reaction Hailiang Wang GS
2017 Uncovering the Local Magnesium Environment in the Metal-Organic Framework Mg2(dobpdc) Using 25Mg NMR Spectroscopy Jeffrey R. Long CV
2016 Accelerated Computational Discovery of Metal-Organic Frameworks for Oxidation Catalysis Jeffrey R. Long CV
2016 Charge recombination in phosphorescent organic light-emitting diode host–guest systems through qm/mm simulations Tianyu Zhu GS
2016 Distinguishing Direct and Indirect Photoelectrocatalytic Oxidation Mechanisms Using Quantitative Single-Molecule Reaction Imaging and Photocurrent Measurements Peng Chen GS
2016 Force Field Development from Periodic Density Functional Theory Calculations for Gas Separation Applications Using Metal-Organic Frameworks Miguel I. Gonzalez; Jarad Mason CV OA GS
2016 Molecular Rectification in Conjugated Block Copolymer Photovoltaics Wenlin Zhang CV OA GS
2016 Optical Nature and Binding Energetics of Fluorescent Fluoride Sensor Bis(bora)calix[4]arene and Design Strategies of its Homologues Jaehyeok Jin CV OA GS
2016 Orientation of Cyano-Substituted Bipyridine Re(I) fac-Tricarbonyl Electrocatalysts Bound to Conducting Au Surfaces Tianquan “Tim” Lian CV OA
2016 Surface-Induced Anisotropic Binding of a Rhenium CO2-Reduction Catalyst on Rutile TiO2 (110) Surfaces Tianquan “Tim” Lian CV OA
2016 Unusual Weak Interparticle Distance De- pendence in Raman Enhancement from Nanoparticle Dimers Zahra Fakhraai CV OA GS
2015 A Surface Hopping View of Electrochemistry: Non-Equilibrium Electronic Transport through an Ionic Solution with a Classical Master Equation Joseph Subotnik CV GS
2015 Combined effects of functional groups, lattice defects, and edges in the infrared spectra of graphene oxide Roberto Car GS
2015 Excitonic Many-Body Interactions in Two-Dimensional Lead Iodide Perovskite Quantum Wells Xiaoyang Zhu OA GS
2015 Mechanisms Underlying the Mpemba Effect in Water from Molecular Dynamics Simulations Jaehyeok Jin CV OA GS
2015 Role of Elastic Strain on Electrocatalysis of Oxygen Reduction Reaction on Pt Shouheng Sun CV OA
2015 The Effect of Surface Stoichiometry on Blinking and Hole Trapping Dynamics in CdSe Nanocrystals Jonathan S. Owen CV
2014 Coherent and Diffusive Timescales for Exciton Dissociation in Bulk Heterojunction Photovoltaic Cells Abraham Nitzan CV OA GS
2014 Intra- to Intermolecular Singlet Fission Xiaoyang Zhu OA GS
2014 Network analysis of photovoltaic energy conversion Abraham Nitzan CV OA GS
2014 Numerical calculations of radiative and non-radiative relaxation of molecules near metal particles Abraham Nitzan CV GS
2014 Probing Transient Electric Fields in Photoexcited Organic Semiconductor Thin Films and Interfaces by Time-Resolved Second Harmonic Generation Xiaoyang Zhu OA GS
2014 Single-Molecule Kinetics Reveals a Hidden Surface Reaction Intermediate in Single-Nanoparticle Catalysis Peng Chen GS
2014 Structural Evolution of Medium-Sized Gold Clusters Aun– (n = 36, 37, 38): Appearance of Bulk-Like Face Centered Cubic Fragment Lai-Sheng Wang CV
2014 Surface Modification and Assembly of Transparent Indium Tin Oxide Nanocrystals for Enhanced Conductivity Shouheng Sun CV OA
2014 Surface Structure of Aerobically Oxidized Diamond Nanocrystals Jonathan S. Owen CV
2014 Time-, Energy-, and Phase-Resolved Second-Harmonic Generation at Semiconductor Interfaces Xiaoyang Zhu OA GS
2013 Controlling the Topography and Surface Plasmon Resonance of Gold Nanoshells by a Templated Surfactant-Assisted Seed Growth Method Zahra Fakhraai CV OA GS
2013 Electronic Relaxation in Benzaldehyde evaluated via TD-DFT and Localized Diabatization: Intersystem Crossings, Conical Intersections, and Phosphorescence Joseph Subotnik CV GS
2013 Electron Transfer Dynamics in Semiconductor-Chromophore-Polyoxometalate Catalyst Photoanodes Tianquan “Tim” Lian CV OA
2013 Modular Assembly of High-Potential Zinc Porphyrin Photosensitizers Attached to TiO2 with a Series of Anchoring Groups Gary Brudvig GS
2013 Optical Probe of Charge Separation at Organic/Inorganic Semiconductor Interfaces Xiaoyang Zhu OA GS
2013 Plasmonic enhancement of dye-sensitized solar cells using core–shell–shell nanostructures Gary Brudvig GS
2013 Single Turnover Measurements of Nanoparticle Catalysis Analyzed with Dwell Time Correlation Functions and Constrained Mean Dwell Times Peng Chen GS
2012 Controlled synthesis of monodisperse CeO2 nanoplates developed from assembled nanoparticles Shouheng Sun CV OA
2012 Noncrystallographic Atomic Arrangement Driven Enhancement of the Catalytic Activity of Au Nanoparticles Shouheng Sun CV OA
2012 Orientation of a Series of CO2 Reduction Catalysts on Single Crystal TiO2 Probed by Phase-Sensitive Vibrational Sum Frequency Generation Spectroscopy (PS-VSFG) Tianquan “Tim” Lian CV OA
2012 Photocharging ZnO nanocrystals: picosecond hole capture, electron accumulation, and auger recombination James Mayer GS
2012 Spiky Gold Nanoshells: Synthesis and Enhanced Scattering Properties Zahra Fakhraai CV OA GS
2012 Structural Modification of TiO2 Surfaces in Bulk Water and Binding Motifs of a Functionalized C60 on TiO2 Anatase and Rutile Surfaces in Vacuo and in Water: Molecular Dynamics Studies Tianquan “Tim” Lian CV OA
2012 Theoretical analysis of the sequential proton-coupled electron transfer mechanisms for H2 oxidation and production pathways catalyzed by nickel molecular electrocatalysts Sharon Hammes-Schiffer CV GS
2012 Tuning Temperature Dependence of Dopant Luminescence via Local Lattice Strain in Core/Shell Nanocrystal Structure Xiaoyang Zhu OA GS
2012 Ultrafast Vibrational Relaxation Dynamics of a Rhenium Bipyridyl CO2-Reduction Catalyst at a Au Electrode Surface Probed by Time-Resolved Vibrational Sum Frequency Generation Spectroscopy Tianquan “Tim” Lian CV OA
2011 Heterojunction organic photovoltaic cells as molecular heat engines: A simple model for the performance analysis Abraham Nitzan CV OA GS
2011 Monodisperse CeO2 Nanoparticles and Their Oxygen Storage/Release Properties Shouheng Sun CV OA GS
2011 Neutron Scattering and Spectroscopic Studies of Hydrogen Adsorption in Cr3(BTC)2—A Metal-Organic Framework with Exposed Cr2+ Sites Jeffrey R. Long CV
2011 Screening Metal-Organic Frameworks by Analysis of Transient Breakthrough of Gas Mixtures in a Fixed Bed Adsorber Jeffrey R. Long CV
2010 CdS Quantum Dots-Sensitized TiO2 Nanorod Array on Transparent Conductive Glass Photoelectrodes Yusong Bai CV OA GS
2010 Characterizing the Locality of Diabatic States for Electronic Excitation Transfer By Decomposing the Diabatic Coupling. Joseph Subotnik CV GS
2010 Circular Currents in Molecular Wires Abraham Nitzan CV GS
2010 Comparison of Electron-Transfer Dynamics from Coumarin 343 to TiO2, SnO2, and ZnO Nanocrystalline Thin Films: Role of Interface-Bound Charge-Separated Pairs Tianquan “Tim” Lian CV OA
2010 Competition between Energy and Electron Transfer from CdSe QDs to Adsorbed Rhodamine B Tianquan “Tim” Lian CV OA
2010 Dynamics of photoinduced proton-coupled electron transfer at molecule-semiconductor interfaces: A reduced density approach Sharon Hammes-Schiffer CV
2010 Morphology Control and Monolayer Patterning with CF2 Groups: An STM Study Matthew Zimmt CV OA
2010 Nuclear-electronic orbital method within the fragment molecular orbital approach Sharon Hammes-Schiffer CV
2010 Steady-state theory of current transfer Abraham Nitzan CV OA GS
2009 A dynamic landscape from femtoseconds to minutes for excess electrons at ice− metal interfaces Xiaoyang Zhu GS
2009 Dipolar Control of Monolayer Morphology on Graphite: Self-Assembly of Anthracenes with Odd Length Diether Side Chains Matthew Zimmt CV OA
2009 Growth of Au Nanowires at the Interface of Air/Water Shouheng Sun CV OA
2009 Ion gel-gated polymer thin-film transistors: Operating mechanism and characterization of gate dielectric capacitance, switching speed, and stability Xiaoyang Zhu GS
2009 Local Electronic Properties of Titanocene Chloride Dimer Molecules on a Metal Surface Jeffrey R. Long CV
2009 Single-molecule kinetic theory of heterogeneous and enzyme catalysis Peng Chen GS
2008 Chemisorption-induced Structural Changes and Transition from Chemisorption to Physisorption in Au6(CO)n- (n = 4-9) Lai-Sheng Wang CV
2008 Comparison of Electron Injection Kinetics from Rhodamine B to In2O3, SnO2 and ZnO Nanocrystalline Thin Films Tianquan “Tim” Lian CV OA
2008 Electrocatalytic Reduction of Oxygen by FePt Alloy Nanoparticles Shouheng Sun CV OA GS
2008 Electron Dynamics at the ZnO (1010) Surface Xiaoyang Zhu OA GS
2008 Exciton Dissociation in CdSe Quantum Dots by Hole Transfer to Phenothiazine Tianquan “Tim” Lian CV OA
2008 Theoretical formulation of nonadiabatic electrochemical proton-coupled electron transfer at metal-solution interfaces Sharon Hammes-Schiffer CV GS
2008 Ultrafast electron transfer from conjugated polymers to Antimony Doped Tin Oxide (ATO) nanoparticles Tianquan “Tim” Lian CV OA
2008 Valence Band Alignment at Cadmium Selenide Quantum Dot and Zinc Oxide (1010) Interfaces Xiaoyang Zhu OA GS
2007 Au34–: A Fluxional Core-Shell Cluster Lai-Sheng Wang CV GS
2007 Effect of Insulating Oxide Overlayers on Electron Injection Dynamics in Dye-Sensitized Nanocrystalline Thin Films Tianquan “Tim” Lian CV OA
2007 Langmuir-Blodgett Thin Films of Fe20Pt80 Nanoparticles for the Electrocatalytic Oxidation of Formic Acid Shouheng Sun CV OA GS
2007 Photoelectron Spectroscopy of Singly and Doubly Charged Higher Fullerenes at Low Temperatures: C76–, C78– , C84– and C762–, C782–, C842– Lai-Sheng Wang CV
2007 Photointermediates of the Rhodopsin S186A Mutant as a Probe of the Hydrogen Bond Network in the Chromophore Pocket and Counterion Switch E. Chui-Ying Yan CV OA
2007 Structural Transition from Pyramidal to Space-Filling Amorphous in Medium-Sized Gold Clusters: Aun− (n = 21 - 26) Lai-Sheng Wang CV
2007 Structural Transitions from Pyramidal to Fused Planar to Tubular to Core/Shell Compact in Gold Clusters: Aun- (n = 21−25) Lai-Sheng Wang GS
2007 Temperature and length dependence of charge transport in redox-active molecular wires incorporating ruthenium (II) bis (σ-arylacetylide) complexes Xiaoyang Zhu GS