Search Results - "Alexandrov, Vitaly"

Role of Defects in the Interplay between Adsorbate Evolving and Lattice Oxygen Mechanisms of the Oxygen Evolution Reaction in RuO2 and IrO2 by Zagalskaya, Alexandra, Alexandrov, Vitaly

“…The mechanistic interplay between the oxygen evolution reaction (OER) and material degradation during water electrolysis is not yet well understood even for…”
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Mechanistic Study of IrO2 Dissolution during the Electrocatalytic Oxygen Evolution Reaction by Zagalskaya, Alexandra, Alexandrov, Vitaly

“…Understanding the mechanistic interplay between the activity and stability of water splitting electrocatalysts is crucial for developing efficient and durable…”
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Coupling nitrate capture with ammonia production through bifunctional redox-electrodes by Kim, Kwiyong, Zagalskaya, Alexandra, Ng, Jing Lian, Hong, Jaeyoung, Alexandrov, Vitaly, Pham, Tuan Anh, Su, Xiao

“…Nitrate is a ubiquitous aqueous pollutant from agricultural and industrial activities. At the same time, conversion of nitrate to ammonia provides an…”
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Ab Initio Thermodynamics of Iridium Surface Oxidation and Oxygen Evolution Reaction by Klyukin, Konstantin, Zagalskaya, Alexandra, Alexandrov, Vitaly

“…Iridium-based materials are considered as state-of-the-art electrocatalysts for oxygen evolution reaction (OER), however, their stability and catalytic…”
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Mechanistic Theoretical Investigation of Self-Discharge Reactions in a Vanadium Redox Flow Battery by Jiang, Zhen, Klyukin, Konstantin, Miller, Kaellen, Alexandrov, Vitaly

“…Compared to the studies of new electrolyte and electrode chemistries aimed to push the energy and power density of battery systems, investigations of…”
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Poly-Amide Modified Copper Foam Electrodes for Enhanced Electrochemical Reduction of Carbon Dioxide by Ahn, Sunyhik, Klyukin, Konstantin, Wakeham, Russell J, Rudd, Jennifer A, Lewis, Aled R, Alexander, Shirin, Carla, Francesco, Alexandrov, Vitaly, Andreoli, Enrico

“…A strategy to modulate the electrocatalytic activity of copper toward CO2 reduction involving adsorption of acrylamide, acrylic acid, and allylamine polymers…”
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Strain‐Dependent Activity‐Stability Relations in RuO2 and IrO2 Oxygen Evolution Catalysts by Chaudhary, Payal, Zagalskaya, Alexandra, Over, Herbert, Alexandrov, Vitaly

“…Strain engineering is an effective strategy in modulating activity of electrocatalysts, but the effect of strain on electrochemical stability of catalysts…”
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Role of Dissolution Intermediates in Promoting Oxygen Evolution Reaction at RuO2(110) Surface by Klyukin, Konstantin, Zagalskaya, Alexandra, Alexandrov, Vitaly

“…RuO2 is one of the most active electrocatalysts toward oxygen evolution reaction (OER), but it suffers from rapid dissolution in electrochemical environments…”
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Kinetics of pH‐dependent interactions between PD‐1 and PD‐L1 immune checkpoint proteins from molecular dynamics by Klyukin, Konstantin, Alexandrov, Vitaly

“…Immune checkpoint blockade of signaling pathways such as PD‐1/PD‐L1 has recently opened up a new avenue for highly efficient immunotherapeutic strategies to…”
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CO2 Adsorption and Reactivity on Rutile TiO2(110) in Water: An Ab Initio Molecular Dynamics Study by Klyukin, Konstantin, Alexandrov, Vitaly

“…Atomic-scale understanding of CO2 adsorption and reactivity on TiO2 is important for the development of new catalysts for CO2 conversion with improved…”
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Enhancing Oxygen Electroreduction Activity of Single-Site Fe–N–C Catalysts by a Metal Support by Jiang, Zhen, Alexandrov, Vitaly

“…Development of cost-effective and highly-active platinum group metal-free (PGM-free) electrocatalysts for the oxygen reduction reaction (ORR) has recently…”
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Corrosion of Electrochemical Energy Materials: Stability Analyses Beyond Pourbaix Diagrams by Zagalskaya, Alexandra, Chaudhary, Payal, Alexandrov, Vitaly

“…Since their first appearance, electrode potential/solution pH charts (Pourbaix diagrams) have served as a general framework for the analysis of material…”
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Mechanistic Study of IrO 2 Dissolution during the Electrocatalytic Oxygen Evolution Reaction by Zagalskaya, Alexandra, Alexandrov, Vitaly

“…Understanding the mechanistic interplay between the activity and stability of water splitting electrocatalysts is crucial for developing efficient and durable…”
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Role of Defects in the Interplay between Adsorbate Evolving and Lattice Oxygen Mechanisms of the Oxygen Evolution Reaction in RuO 2 and IrO 2 by Zagalskaya, Alexandra, Alexandrov, Vitaly

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Revealing Elusive Intermediates of Platinum Cathodic Corrosion through DFT Simulations by Evazzade, Iman, Zagalskaya, Alexandra, Alexandrov, Vitaly

“…Cathodic corrosion of metals discovered more than 120 years ago remains a poorly understood electrochemical process. It is believed that the corrosion…”
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Ab Initio Thermodynamics and Kinetics of the Lattice Oxygen Evolution Reaction in Iridium Oxides by Zagalskaya, Alexandra, Evazzade, Iman, Alexandrov, Vitaly

“…Iridium-oxide-based catalysts are among the most active and stable materials for the anodic oxygen evolution reaction (OER) in acidic media, but even their…”
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On the Role of Interfacial Water Dynamics for Electrochemical Stability of RuO2 and IrO2 by Evazzade, Iman, Zagalskaya, Alexandra, Alexandrov, Vitaly

“…Based on the coincident onsets of oxygen evolution reaction (OER) and metal dissolution for many metal‐oxide catalysts it was suggested that OER triggers…”
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Electrocatalytic Activity of Oxygen-Functionalized Carbon Electrodes for Vanadium Redox Flow Batteries from Free-Energy Calculations by Jiang, Zhen, Alexandrov, Vitaly

“…Detailed atomistic understanding of the vanadium redox reactions taking place at electrode/water interfaces is key for improvement of the power density of…”
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Ab Initio Metadynamics Study of the VO2 +/VO2+ Redox Reaction Mechanism at the Graphite Edge/Water Interface by Jiang, Zhen, Klyukin, Konstantin, Alexandrov, Vitaly

“…Redox flow batteries (RFBs) are promising electrochemical energy storage systems, for which development is impeded by a poor understanding of redox reactions…”
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CO 2 Adsorption and Reactivity on Rutile TiO 2 (110) in Water: An Ab Initio Molecular Dynamics Study by Klyukin, Konstantin, Alexandrov, Vitaly

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