Search Results - "Carter, Emily A"

Defect-Mediated Charge-Carrier Trapping and Nonradiative Recombination in WSe2 Monolayers by Li, Lesheng, Carter, Emily A

“…Nonradiative charge-carrier recombination in transition-metal dichalcogenide (TMD) monolayers severely limits their use in solar energy conversion…”
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The technological and economic prospects for CO2 utilization and removal by Hepburn, Cameron, Adlen, Ella, Beddington, John, Carter, Emily A., Fuss, Sabine, Mac Dowell, Niall, Minx, Jan C., Smith, Pete, Williams, Charlotte K.

“…The capture and use of carbon dioxide to create valuable products might lower the net costs of reducing emissions or removing carbon dioxide from the…”
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Quantifying hot carrier and thermal contributions in plasmonic photocatalysis by Zhou, Linan, Swearer, Dayne F, Zhang, Chao, Robatjazi, Hossein, Zhao, Hangqi, Henderson, Luke, Dong, Liangliang, Christopher, Phillip, Carter, Emily A, Nordlander, Peter, Halas, Naomi J

“…Photocatalysis based on optically active, "plasmonic" metal nanoparticles has emerged as a promising approach to facilitate light-driven chemical conversions…”
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Challenges in Modeling Materials Properties Without Experimental Input by Carter, Emily A

“…Simulations of materials behavior are an important component of materials science research, partly because measurements are indirect, requiring theoretical…”
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Water Oxidation on Pure and Doped Hematite (0001) Surfaces: Prediction of Co and Ni as Effective Dopants for Electrocatalysis by Liao, Peilin, Keith, John A, Carter, Emily A

“…In photoelectrochemical cells, sunlight may be converted into chemical energy by splitting water into hydrogen and oxygen molecules. Hematite (α-Fe2O3) is a…”
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Influence of Weak Brønsted Acids on Electrocatalytic CO2 Reduction by Manganese and Rhenium Bipyridine Catalysts by Riplinger, Christoph, Carter, Emily A

“…[Re­(bpy)­(CO)3]− and [Mn­(bpy)­(CO)3]− are homogeneous electrocatalysts for the reduction of CO2 to CO. Their turnover frequencies depend on the type of…”
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Understanding the Effects of Cd and Ag Doping in Cu2ZnSnS4 Solar Cells by Sai Gautam, Gopalakrishnan, Senftle, Thomas P, Carter, Emily A

“…Cu2ZnSnS4-based solar cells, which constitute an inexpensive, beyond-Si photovoltaic technology, often suffer from low open-circuit voltage and efficiency…”
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Mechanistic Contrasts between Manganese and Rhenium Bipyridine Electrocatalysts for the Reduction of Carbon Dioxide by Riplinger, Christoph, Sampson, Matthew D, Ritzmann, Andrew M, Kubiak, Clifford P, Carter, Emily A

“…[Re­(bpy)­(CO)3]− is a well-established homogeneous electrocatalyst for the reduction of CO2 to CO. Recently, substitution of the more abundant transition…”
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Orbital-free density functional theory for materials research by Witt, William C., del Rio, Beatriz G., Dieterich, Johannes M., Carter, Emily A.

“…Orbital-free density functional theory (OFDFT) is both grounded in quantum physics and suitable for direct simulation of thousands of atoms. This article…”
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Kinetic and Mechanistic Effects of Bipyridine (bpy) Substituent, Labile Ligand, and Brønsted Acid on Electrocatalytic CO2 Reduction by Re(bpy) Complexes by Clark, Melissa L, Cheung, Po Ling, Lessio, Martina, Carter, Emily A, Kubiak, Clifford P

“…In order to help develop robust and deployable molecular electrocatalysts for the reduction of CO2 to CO, we must understand the effects of tuning their…”
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Why Do We Use the Materials and Operating Conditions We Use for Heterogeneous (Photo)Electrochemical Water Splitting? by Govind Rajan, Ananth, Martirez, John Mark P, Carter, Emily A

“…Water splitting through the use of (photo)­electrocatalysts is a carbon-free route to sustainably produce hydrogen gas for use in various applications, such as…”
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A Strategy to Stabilize Kesterite CZTS for High-Performance Solar Cells by Yu, Kuang, Carter, Emily A

“…Cu2ZnSnS4–x Se x (CZTS) is an important semiconductor with significant potential for applications in the next generation of solar cells. CZTS has an optimal…”
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Surface Energy as a Descriptor of Catalytic Activity by Zhuang, Houlong, Tkalych, Alexander J, Carter, Emily A

“…Computational searches for catalysts of the hydrogen evolution reaction commonly use the hydrogen binding energy (HBE) as a predictor of catalytic activity…”
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Heterometallic antenna–reactor complexes for photocatalysis by Swearer, Dayne F., Zhao, Hangqi, Zhou, Linan, Zhang, Chao, Robatjazi, Hossein, Martirez, John Mark P., Krauter, Caroline M., Yazdi, Sadegh, McClain, Michael J., Ringe, Emilie, Carter, Emily A., Nordlander, Peter, Halas, Naomi J.

“…Metallic nanoparticles with strong optically resonant properties behave as nanoscale optical antennas, and have recently shown extraordinary promise as…”
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Hydrogen in tungsten: Absorption, diffusion, vacancy trapping, and decohesion by Johnson, Donald F., Carter, Emily A.

“…Understanding the interaction between atomic hydrogen and solid tungsten is important for the development of fusion reactors in which proposed tungsten walls…”
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Advances in correlated electronic structure methods for solids, surfaces, and nanostructures by Huang, Patrick, Carter, Emily A

“…Calculations of the electronic structure of solids began decades ago, but only recently have solid-state quantum techniques become sufficiently reliable that…”
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Plasmon damping depends on the chemical nature of the nanoparticle interface by Foerster, Benjamin, Spata, Vincent A, Carter, Emily A, Sönnichsen, Carsten, Link, Stephan

“…The chemical nature of surface adsorbates affects the localized surface plasmon resonance of metal nanoparticles. However, classical electromagnetic…”
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Response to Comment on "Quantifying hot carrier and thermal contributions in plasmonic photocatalysis" by Zhou, Linan, Swearer, Dayne F, Robatjazi, Hossein, Alabastri, Alessandro, Christopher, Phillip, Carter, Emily A, Nordlander, Peter, Halas, Naomi J

“…Sivan claim that the methods used to distinguish thermal from hot carrier effects in our recent report are inaccurate and that our data can be explained by a…”
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Density-decomposed orbital-free density functional theory for covalently bonded molecules and materials by Xia, Junchao, Carter, Emily A.

“…We propose a density decomposition scheme using a Wang-Govind-Carter-(WGC-) based kinetic energy density functional (KEDF) to accurately and efficiently…”
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Thermodynamic Constraints in Using AuM (M = Fe, Co, Ni, and Mo) Alloys as N2 Dissociation Catalysts: Functionalizing a Plasmon-Active Metal by Martirez, John Mark P, Carter, Emily A

“…The Haber-Bosch process for NH3 synthesis is arguably one of the greatest inventions of the 20th century, with a massive footprint in agriculture and,…”
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