Search Results - "Journal of physical chemistry. C"

Critical Knowledge Gaps in Mass Transport through Single-Digit Nanopores: A Review and Perspective by Faucher, Samuel, Aluru, Narayana, Bazant, Martin Z, Blankschtein, Daniel, Brozena, Alexandra H, Cumings, John, Pedro de Souza, J, Elimelech, Menachem, Epsztein, Razi, Fourkas, John T, Rajan, Ananth Govind, Kulik, Heather J, Levy, Amir, Majumdar, Arun, Martin, Charles, McEldrew, Michael, Misra, Rahul Prasanna, Noy, Aleksandr, Pham, Tuan Anh, Reed, Mark, Schwegler, Eric, Siwy, Zuzanna, Wang, YuHuang, Strano, Michael

“…Not all nanopores are created equal. By definition, nanopores have characteristic diameters or conduit widths between ∼1 and 100 nm. However, the narrowest of…”
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Computational 2D Materials Database: Electronic Structure of Transition-Metal Dichalcogenides and Oxides by Rasmussen, Filip A, Thygesen, Kristian S

“…We present a comprehensive first-principles study of the electronic structure of 51 semiconducting monolayer transition-metal dichalcogenides and -oxides in…”
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Machine Learning Force Fields: Construction, Validation, and Outlook by Botu, V, Batra, R, Chapman, J, Ramprasad, R

“…Force fields developed with machine learning methods in tandem with quantum mechanics are beginning to find merit, given their (i) low cost, (ii) accuracy, and…”
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Two-Dimensional Titanium Carbide (MXene) as Surface-Enhanced Raman Scattering Substrate by Sarycheva, Asia, Makaryan, Taron, Maleski, Kathleen, Satheeshkumar, Elumalai, Melikyan, Armen, Minassian, Hayk, Yoshimura, Masahiro, Gogotsi, Yury

“…Noble metal (gold or silver) nanoparticles or patterned films are typically used as substrates for surface-enhanced Raman spectroscopy (SERS). Two-dimensional…”
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Crystal Orbital Bond Index: Covalent Bond Orders in Solids by Müller, Peter C, Ertural, Christina, Hempelmann, Jan, Dronskowski, Richard

“…The crystal orbital bond index (COBI) is a new and intuitive method for quantifying covalent bonding in solid-state materials. COBI is based on the bond index…”
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Impedance Spectroscopy for Emerging Photovoltaics by von Hauff, Elizabeth

“…Impedance spectroscopy has been widely applied over the last decades to study electrochemical systems and solid-state devices. However, performing impedance…”
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What Does Nanoparticle Stability Mean? by Phan, Hoa T, Haes, Amanda J

“…The term “nanoparticle stability” is widely used to describe the preservation of a particular nanostructure property ranging from aggregation, composition,…”
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Optimizing C–C Coupling on Oxide-Derived Copper Catalysts for Electrochemical CO2 Reduction by Lum, Yanwei, Yue, Binbin, Lobaccaro, Peter, Bell, Alexis T, Ager, Joel W

“…Copper electrodes, prepared by reduction of oxidized metallic copper, have been reported to exhibit higher activity for the electrochemical reduction of CO2…”
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Advances in Clayff Molecular Simulation of Layered and Nanoporous Materials and Their Aqueous Interfaces by Cygan, Randall T, Greathouse, Jeffery A, Kalinichev, Andrey G

“…As a general-purpose force field for molecular simulations of layered materials and their fluid interfaces, Clayff continues to see broad usage in atomistic…”
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Ambient-Pressure XPS Study of a Ni–Fe Electrocatalyst for the Oxygen Evolution Reaction by Ali-Löytty, Harri, Louie, Mary W, Singh, Meenesh R, Li, Lin, Sanchez Casalongue, Hernan G, Ogasawara, Hirohito, Crumlin, Ethan J, Liu, Zhi, Bell, Alexis T, Nilsson, Anders, Friebel, Daniel

“…Chemical analysis of solid–liquid interfaces under electrochemical conditions has recently become feasible due to the development of new synchrotron radiation…”
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X-ray Photoelectron Spectroscopy of Ti3AlC2, Ti3C2Tz, and TiC Provides Evidence for the Electrostatic Interaction between Laminated Layers in MAX-Phase Materials by Näslund, Lars-Åke, Persson, Per O A, Rosén, Johanna

“…The inherently nanolaminated Ti3AlC2 is one of the most studied MAX-phase materials. MAX-phases consists of two-dimensional Mn+1Xn-layers (e.g., T3C2-layers)…”
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Flexible Graphene-Based Supercapacitors: A Review by Chee, W. K, Lim, H. N, Zainal, Z, Huang, N. M, Harrison, I, Andou, Y

“…The recent rapid growth in graphene-based supercapacitors has reached the point where there is a need for solid-state devices with physical flexibility, which…”
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An Empirical, yet Practical Way To Predict the Band Gap in Solids by Using Density Functional Band Structure Calculations by Morales-García, Ángel, Valero, Rosendo, Illas, Francesc

“…Band structure calculations based on density functional theory (DFT) with local or gradient-corrected exchange-correlation potentials are known to severely…”
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Characterization of Planar Lead Halide Perovskite Solar Cells by Impedance Spectroscopy, Open-Circuit Photovoltage Decay, and Intensity-Modulated Photovoltage/Photocurrent Spectroscopy by Pockett, Adam, Eperon, Giles E, Peltola, Timo, Snaith, Henry J, Walker, Alison, Peter, Laurence M, Cameron, Petra J

“…Thin film lead halide perovskite cells, where the perovskite layer is deposited directly onto a flat titania blocking layer, have reached AM 1.5 efficiencies…”
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Stable, Single-Layer MX2 Transition-Metal Oxides and Dichalcogenides in a Honeycomb-Like Structure by Ataca, C, Şahin, H, Ciraci, S

“…Recent studies have revealed that single-layer transition-metal oxides and dichalcogenides (MX2) might offer properties superior to those of graphene. So far,…”
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Optical-Vibrational Properties of the Cs2SnX6 (X = Cl, Br, I) Defect Perovskites and Hole-Transport Efficiency in Dye-Sensitized Solar Cells by Kaltzoglou, Andreas, Antoniadou, Maria, Kontos, Athanassios G, Stoumpos, Constantinos C, Perganti, Dorothea, Siranidi, Eirini, Raptis, Vasilios, Trohidou, Kalliopi, Psycharis, Vassilis, Kanatzidis, Mercouri G, Falaras, Polycarpos

“…We report the vibrational and optical properties of the ‘defect’ perovskites Cs2SnX6 (X = Cl, Br, I) as well as their use as hole-transporting materials (HTMs)…”
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In Situ Characterization of Cu/CeO2 Nanocatalysts for CO2 Hydrogenation: Morphological Effects of Nanostructured Ceria on the Catalytic Activity by Lin, Lili, Yao, Siyu, Liu, Zongyuan, Zhang, Feng, Li, Na, Vovchok, Dimitriy, Martínez-Arias, Arturo, Castañeda, Rafael, Lin, Jinying, Senanayake, Sanjaya D, Su, Dong, Ma, Ding, Rodriguez, José A

“…A combination of time-resolved X-ray diffraction (TR-XRD), ambient-pressure X-ray photoelectron spectroscopy (AP-XPS), and diffuse reflectance infrared Fourier…”
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Insights into the Electrochemical Oxygen Evolution Reaction with ab Initio Calculations and Microkinetic Modeling: Beyond the Limiting Potential Volcano by Dickens, Colin F, Kirk, Charlotte, Nørskov, Jens K

“…Density functional theory calculations are potentially useful for both understanding the activity of experimentally tested catalysts and screening for new…”
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Electrochemical Study of the Energetics of the Oxygen Evolution Reaction at Nickel Iron (Oxy)Hydroxide Catalysts by Swierk, John R, Klaus, Shannon, Trotochaud, Lena, Bell, Alexis T, Tilley, T. Don

“…Iron-doped nickel (oxy)­hydroxide catalysts (Fe x Ni1–x OOH) exhibit high electrocatalytic behavior for the oxygen evolution reaction in base. Recent findings…”
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Optical Investigation of Broadband White-Light Emission in Self-Assembled Organic–Inorganic Perovskite (C6H11NH3)2PbBr4 by Yangui, A, Garrot, D, Lauret, J. S, Lusson, A, Bouchez, G, Deleporte, E, Pillet, S, Bendeif, E. E, Castro, M, Triki, S, Abid, Y, Boukheddaden, K

“…The performance of hybrid organic perovskite (HOP) for solar energy conversion is driving a renewed interest in their light emitting properties. The recent…”
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