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Theoretical Insight into the No* Coverage-Dependent Selectivity of Pd and Cu Electrocatalysts for Nitrate Reduction Towards Ammonia or Dinitrogen
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Outgoing claims: the papers this work cites, builds on, or argues with.
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Selectivity of CO2 Reduction on Copper Electrodes: The Role of the Kinetics of Elementary Steps
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Nitrate in drinking water and colorectal cancer risk: A nationwide population‐based cohort study
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The electrochemical reduction of nitrate over micro-architectured metal electrodes with stainless steel scaffold
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Electrocatalytic reduction of nitrate: Fundamentals to full-scale water treatment applications
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Electrochemical reduction of NOx species at the interface of nanostructured Pd and PdCu catalysts in alkaline conditions
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Highly reactive Cu-Pt bimetallic 3D-electrocatalyst for selective nitrate reduction to ammonia
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A simple method to approximate electrode potential-dependent activation energies using density functional theory
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Using Brønsted-Evans-Polanyi relations to predict electrode potential-dependent activation energies
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Electrochemical-catalytic reduction of nitrate over Pd–Cu/γAl2O3 catalyst in cathode chamber: Enhanced removal efficiency and N2 selectivity
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Enhanced activity and selectivity of electrocatalytic denitrification by highly dispersed CuPd bimetals on reduced graphene oxide
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Electrocatalytic reduction of Nitrate on Copper single crystals in acidic and alkaline solutions.
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High throughput optimisation of PdCu alloy electrocatalysts for the reduction of nitrate ions
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NO dissociation and reduction by H 2 on Pd(1 1 1): A first-principles study
inferredcites →https://doi.org/10.1016/j.jcat.2021.05.022openalex-extracted
First-principles mechanistic study on nitrate reduction reactions on copper surfaces: Effects of crystal facets and pH
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Computational prediction and experimental evaluation of nitrate reduction to ammonia on rhodium
inferredcites →https://doi.org/10.1016/j.jcat.2022.06.007openalex-extracted
Proton Shuttling Flattens the Energy Landscape of Nitrite Catalytic Reduction
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The influence of nitrate concentration and acidity on the electrocatalytic reduction of nitrate on platinum
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Optimization of the cathode material for nitrate removal by a paired electrolysis process
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First-principles based microkinetic modeling of borohydride oxidation on a Au(111) electrode
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Mechanisms impairing blood pressure responses to nitrite and nitrate
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Sources and mechanisms of nitrate and orthophosphate transport in urban stormwater runoff from residential catchments
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Nitrate removal with reverse osmosis in a rural area in South Africa
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Electrocatalytic reduction of nitrate at low concentration on coinage and transition-metal electrodes in acid solutions
inferredcites →https://doi.org/10.1016/s0166-1280(98)00354-6openalex-extracted
Modeling the adsorption and dissociation of CO on transition metal surfaces
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Electrocatalytic reduction of NO3− on palladium/copper electrodes
inferredcites →https://doi.org/10.1021/acs.est.9b01425openalex-extracted
Water-Mediated Reduction of AqueousN-Nitrosodimethylamine with Pd
inferredcites →https://doi.org/10.1021/acs.jpclett.1c01691openalex-extracted
Unveiling Potential Dependence in NO Electroreduction to Ammonia
inferredcites →https://doi.org/10.1021/acsami.1c09301openalex-extracted
Precisely Controlled Synthesis of Hybrid Intermetallic–Metal Nanoparticles for Nitrate Electroreduction
inferredcites →https://doi.org/10.1021/acsami.2c00436openalex-extracted
High-Performance Electrochemical Nitrate Reduction to Ammonia under Ambient Conditions Using a FeOOH Nanorod Catalyst
inferredcites →https://doi.org/10.1021/acsami.2c04789openalex-extracted
Facile Tailoring of the Electronic Structure and the d-Band Center of Copper-Doped Cobaltate for Efficient Nitrate Electrochemical Hydrogenation
inferredcites →https://doi.org/10.1021/acsami.2c12772openalex-extracted
High-Efficiency Electrochemical Nitrate Reduction to Ammonia on a Co3O4 Nanoarray Catalyst with Cobalt Vacancies
inferredcites →https://doi.org/10.1021/acsami.3c00511openalex-extracted
Efficient Electrocatalytic Nitrate Reduction to Ammonia Based on DNA-Templated Copper Nanoclusters
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Cr-Doped FeC 2 O 4 Microrods Formed Directly on AISI 420 Stainless Steel to Enhance Electrochemical NO 3– Reduction to N 2 at Circumneutral pH
inferredcites →https://doi.org/10.1021/acscatal.1c04493openalex-extracted
DFT Insights into NO Electrochemical Reduction: A Case Study of Pt(211) and Cu(211) Surfaces
inferredcites →https://doi.org/10.1021/acscatal.2c04841openalex-extracted
PdCu Electrocatalysts for Selective Nitrate and Nitrite Reduction to Nitrogen
inferredcites →https://doi.org/10.1021/acscatal.7b00547openalex-extracted
Atomistic Insights into Nitrogen-Cycle Electrochemistry: A Combined DFT and Kinetic Monte Carlo Analysis of NO Electrochemical Reduction on Pt(100)
inferredcites →https://doi.org/10.1021/acscatal.7b01069openalex-extracted
Structure- and Coverage-Sensitive Mechanism of NO Reduction on Platinum Electrodes
inferredcites →https://doi.org/10.1021/acscatal.9b03239openalex-extracted
Mechanistic Insights into pH-Controlled Nitrite Reduction to Ammonia and Hydrazine over Rhodium
inferredcites →https://doi.org/10.1021/acsestwater.1c00195openalex-extracted
Catalytic Capacitive Deionization for Adsorption and Reduction of Aqueous Nitrate
inferredcites →https://doi.org/10.1021/acsomega.9b03550openalex-extracted
Recent Advances in Noble Metal (Pt, Ru, and Ir)-Based Electrocatalysts for Efficient Hydrogen Evolution Reaction
inferredcites →https://doi.org/10.1021/cs500668kopenalex-extracted
Density Functional Theory Calculations and Analysis of Reaction Pathways for Reduction of Nitric Oxide by Hydrogen on Pt(111)
inferredcites →https://doi.org/10.1021/es503772xopenalex-extracted
Nitrite Reduction Mechanism on a Pd Surface
inferredcites →https://doi.org/10.1021/j100135a014openalex-extracted
Crystal orbital Hamilton populations (COHP): energy-resolved visualization of chemical bonding in solids based on density-functional calculations
inferredcites →https://doi.org/10.1021/jacs.1c10535openalex-extracted
Electrochemical Reduction of Gaseous Nitrogen Oxides on Transition Metals at Ambient Conditions
inferredcites →https://doi.org/10.1021/jp047349jopenalex-extracted
Origin of the Overpotential for Oxygen Reduction at a Fuel-Cell Cathode
inferredcites →https://doi.org/10.1021/jp202489sopenalex-extracted
Crystal Orbital Hamilton Population (COHP) Analysis As Projected from Plane-Wave Basis Sets
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Theory of nitride oxide adsorption on transition metal (111) surfaces: a first-principles investigation
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Powering denitrification: the perspectives of electrocatalytic nitrate reduction
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Recent discoveries in the reaction mechanism of heterogeneous electrocatalytic nitrate reduction
inferredcites →https://doi.org/10.1063/1.1323224openalex-extracted
Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points
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A climbing image nudged elastic band method for finding saddle points and minimum energy paths
inferredcites →https://doi.org/10.1063/1.3382344openalex-extracted
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
inferredcites →https://doi.org/10.1063/1.480097openalex-extracted
A dimer method for finding saddle points on high dimensional potential surfaces using only first derivatives
inferredcites →https://doi.org/10.1088/0953-8984/21/8/084204openalex-extracted
A grid-based Bader analysis algorithm without lattice bias
inferredcites →https://doi.org/10.1103/physrevb.13.5188openalex-extracted
Special points for Brillouin-zone integrations
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High-precision sampling for Brillouin-zone integration in metals
inferredcites →https://doi.org/10.1103/physrevb.50.17953openalex-extracted
Projector augmented-wave method
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Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
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From ultrasoft pseudopotentials to the projector augmented-wave method
inferredcites →https://doi.org/10.1103/physrevlett.115.036402openalex-extracted
Strongly Constrained and Appropriately Normed Semilocal Density Functional
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Generalized Gradient Approximation Made Simple
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SCAN+rVV10: A promising van der Waals density functional
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