Research graph
References from Interlayer-confined dual sites in a doped graphene/MoS <sub>2</sub> bilayer: Synergistic effects and active site switching for boosted electrochemical nitrogen reduction. Local targets link to admitted publications; unresolved targets remain external evidence.
Catalytic synthesis of ammonia—A “never-ending story”
10.1002/anie.200301553 · 2003 · External reference
Beyond fossil fuel-driven nitrogen transformations
10.1126/science.aar6611 · 2018 · External reference
Mechanochemistry for ammonia synthesis under mild conditions
10.1038/s41565-020-00809-9 · 2021 · External reference
The Haber–Bosch process revisited: On the real structure and stability of “ammonia iron” under working conditions
10.1002/anie.201305812 · 2013 · External reference
Electrochemical nitrogen reduction: Recent progress and prospects
10.1039/d1cc01451j · 2021 · External reference
Mechanistic insights into electrochemical nitrogen reduction reaction on vanadium nitride nanoparticles
10.1021/jacs.8b08379 · 2018 · External reference
Ammonia synthesis under ambient conditions: Selective electroreduction of dinitrogen to ammonia on black phosphorus nanosheets
10.1002/anie.201813174 · 2019 · External reference
Modulating single-atom palladium sites with copper for enhanced ambient ammonia electrosynthesis
10.1002/anie.202010159 · 2021 · External reference
Electrochemical ammonia synthesis—The selectivity challenge
10.1021/acscatal.6b03035 · 2017 · External reference
Challenges and prospects in the catalysis of electroreduction of nitrogen to ammonia
10.1038/s41929-019-0252-4 · 2019 · External reference
Single-atom low-valent alkaline-earth-metal catalysts for electrochemical nitrogen reduction with an acceptance-backdonation mechanism
10.1021/acsami.2c18260 · 2022 · External reference
Achieving a record-high yield rate of 120.9 μgNH3⋅mgcat−1⋅h−1 for N2 electrochemical reduction over Ru single-atom catalysts
10.1002/adma.201870301 · 2018 · External reference
Boosting selective nitrogen reduction via geometric coordination engineering on single-tungsten-atom catalysts
10.1002/adma.202100429 · 2021 · External reference
Atomically dispersed Au1 catalyst towards efficient electrochemical synthesis of ammonia
10.1016/j.scib.2018.07.005 · 2018 · External reference
Atomically dispersed single Ni site catalysts for nitrogen reduction toward electrochemical ammonia synthesis using N2 and H2O
10.1002/smtd.201900821 · 2020 · External reference
Rational design of Fe-N/C hybrid for enhanced nitrogen reduction electrocatalysis under ambient conditions in aqueous solution
10.1021/acscatal.8b03802 · 2019 · External reference
Computational study of transition metal single-atom catalysts supported on nitrogenated carbon nanotubes for electrocatalytic nitrogen reduction
10.1007/s12274-022-4803-7 · 2023 · External reference
Nitrogen reduction reaction enhanced by single-atom transition metal catalysts on functionalized graphene: A first-principles study
10.1016/j.ijhydene.2024.05.408 · 2024 · External reference
Nitrogen-fixation catalyst based on graphene: Every part counts
10.1039/c4cc01950d · 2014 · External reference
Conversion of dinitrogen to ammonia by FeN3-embedded graphene
10.1021/jacs.6b04778 · 2016 · External reference
Single Mo atom supported on defective boron nitride monolayer as an efficient electrocatalyst for nitrogen fixation: A computational study
10.1021/jacs.7b05213 · 2017 · External reference
Atomically dispersed molybdenum catalysts for efficient ambient nitrogen fixation
10.1002/anie.201811728 · 2019 · External reference
Accelerating protonation kinetics for ammonia electrosynthesis on single iron sites embedded in carbon with intrinsic defects
10.1002/adfm.202205409 · 2022 · External reference
Highly productive electrosynthesis of ammonia by admolecule-targeting single Ag sites
10.1021/acsnano.0c01340 · 2020 · External reference
Identification of FeN4 as an efficient active site for electrochemical N2 reduction
10.1021/acscatal.9b00959 · 2019 · External reference
Nitrogen-coordinated single Fe sites for efficient electrocatalytic N2 fixation in neutral media
10.1016/j.nanoen.2019.04.092 · 2019 · External reference
Suppression of hydrogen evolution reaction in electrochemical N2 reduction using single-atom catalysts: A computational guideline
10.1021/acscatal.8b00905 · 2018 · External reference
Building up a picture of the electrocatalytic nitrogen reduction activity of transition metal single-atom catalysts
10.1021/jacs.9b03811 · 2019 · External reference
Automating structure–activity analysis for electrochemical nitrogen reduction catalyst design through multi-agent collaborations
10.1093/nsr/nwaf372 · 2025 · External reference
High-efficiency electrochemical ammonia synthesis at co-catalytic Fe–Mo dual-atom sites
10.1021/acsnano.5c01741 · 2025 · External reference
Hydrophobic and electronic properties of the E-MoS2 nanosheets induced by FAS for the CO2 electroreduction to syngas with a wide range of CO/H2 ratios
10.1002/adfm.201802339 · 2018 · External reference
MoS2 quantum dots for electrocatalytic N2 reduction
10.1039/d1cc03795a · 2021 · External reference
Boosted electrocatalytic N2 reduction to NH3 by defect-rich MoS2 nanoflower
10.1002/aenm.201801357 · 2018 · External reference
Electrochemical generation of sulfur vacancies in the basal plane of MoS2 for hydrogen evolution
10.1038/ncomms15113 · 2017 · External reference
Targeted modulation of competitive active sites toward nitrogen fixation via sulfur vacancy engineering over MoS2
10.1002/adfm.202302501 · 2023 · External reference
Single-atom vacancy defect to trigger high-efficiency hydrogen evolution of MoS2
10.1021/jacs.9b12113 · 2020 · External reference
Regulating electronic spin moments of single-atom catalyst sites via single-atom promoter tuning on S-vacancy MoS2 for efficient nitrogen fixation
10.1021/acs.jpclett.1c02432 · 2021 · External reference
Cobalt-modulated molybdenum–dinitrogen interaction in MoS2 for catalyzing ammonia synthesis
10.1021/jacs.9b02501 · 2019 · External reference
Interlayer-confined NiFe dual atoms within MoS2 electrocatalyst for ultra-efficient acidic overall water splitting
10.1002/adma.202300505 · 2023 · External reference
Achieving industrial ammonia synthesis rates at near-ambient conditions through modified scaling relations on a confined dual site
10.1073/pnas.2106527118 · 2021 · External reference
Theoretical approach toward a mild condition Haber–Bosch process on the zeolite catalyst with confined dual active sites
10.1021/jacsau.3c00546 · 2023 · External reference
Steering competitive N2 and CO adsorption toward efficient urea production with a confined dual site
10.1039/d3sc04688e · 2023 · External reference
Toward carbon monoxide methanation at mild conditions on dual-site catalysts
10.1021/jacs.3c02180 · 2023 · External reference
Electronic mechanism behind the influence of intercalated heteroatom Sn on the slip energy barrier in layered WS2
10.1088/1361-6528/add166 · 2025 · External reference
Ab initio molecular dynamics for liquid metals
10.1103/physrevb.47.558 · 1993 · External reference
Accurate and simple analytic representation of the electron-gas correlation energy
10.1103/physrevb.45.13244 · 1992 · External reference
Generalized gradient approximation made simple
10.1103/physrevlett.77.3865 · 1996 · External reference
Semiempirical GGA-type density functional constructed with a long-range dispersion correction
10.1002/jcc.20495 · 2006 · External reference
A fast and robust algorithm for Bader decomposition of charge density
10.1016/j.commatsci.2005.04.010 · 2006 · External reference
Improved grid-based algorithm for Bader charge allocation
10.1002/jcc.20575 · 2007 · External reference
A climbing image nudged elastic band method for finding saddle points and minimum energy paths
10.1063/1.1329672 · 2000 · External reference
Origin of the overpotential for oxygen reduction at a fuel-cell cathode
10.1021/jp047349j · 2004 · External reference
Modeling the electrochemical hydrogen oxidation and evolution reactions on the basis of density functional theory calculations
10.1021/jp110913n · 2010 · External reference
Implicit self-consistent electrolyte model in plane-wave density-functional theory
10.1063/1.5132354 · 2019 · External reference
Implicit solvation model for density-functional study of nanocrystal surfaces and reaction pathways
10.1063/1.4865107 · 2014 · External reference
Two-dimensional (2D)/2D interface engineering of a MoS2/C3N4 heterostructure for promoted electrocatalytic nitrogen fixation
10.1021/acsami.9b18263 · 2020 · External reference
Computational screening of efficient single-atom catalysts based on graphitic carbon nitride (g-C3N4) for nitrogen electroreduction
10.1002/smtd.201800368 · 2019 · External reference
Achieving efficient N2 electrochemical reduction by stabilizing the N2H* intermediate with the frustrated lewis pairs
10.1016/j.jechem.2021.09.020 · 2022 · External reference
Electrocatalytic nitrogen reduction at low temperature
10.1016/j.joule.2018.04.014 · 2018 · External reference
Single transition metal atom embedded into a MoS2 nanosheet as a promising catalyst for electrochemical ammonia synthesis
10.1039/c7cp08626a · 2018 · External reference
Synergistic boron-dopants and boron-induced oxygen vacancies in MnO2 nanosheets to promote electrocatalytic nitrogen reduction
10.1039/d0ta00220h · 2020 · External reference
Lateral and vertical heterostructures of transition metal dichalcogenides
10.1021/acs.jpcc.7b08256 · 2018 · External reference
Direct versus reverse vertical two-dimensional Mo2C/graphene heterostructures for enhanced hydrogen evolution reaction electrocatalysis
10.1088/1361-6528/ab3155 · 2019 · External reference
Synergizing hydrogen spillover and deprotonation by the internal polarization field in a MoS2/NiPS3 vertical heterostructure for boosted water electrolysis
10.1002/adma.202203615 · 2022 · External reference
Collaborative effect between single-atom Re and S vacancy on modulating localized electronic structure of MoS2 catalysts for alkaline hydrogen evolution
10.1007/s12274-024-6909-x · 2024 · External reference
Sulfur vacancy-induced reversible doping of transition metal disulfides via hydrazine treatment
10.1039/c7nr01883e · 2017 · External reference
Dual-site synergistic electrocatalysis enables highly selective upcycling of real-world plastic waste to glycolic acid
10.1002/adfm.202509766 · 2025 · External reference
Combining theory and experiment in electrocatalysis: Insights into materials design
10.1126/science.aad4998 · 2017 · External reference
High-throughput screening of carbon nitride single-atom catalysts for nitrogen fixation based on machine learning
10.1039/d4ta04370g · 2024 · External reference
Tackling the activity and selectivity challenges of electrocatalysts toward the nitrogen reduction reaction via atomically dispersed biatom catalysts
10.1021/jacs.9b13349 · 2020 · External reference
Designing single-site alloy catalysts using a degree-of-isolation descriptor
10.1038/s41565-023-01344-z · 2023 · External reference
A universal descriptor for complicated interfacial effects on electrochemical reduction reactions
10.1021/jacs.2c04540 · 2022 · External reference
A universal descriptor for two-dimensional carbon nitride-based single-atom electrocatalysts towards the nitrogen reduction reaction
10.1039/d4ta05067c · 2024 · External reference
Sulfur-coordinated transition metal atom in graphene for electrocatalytic nitrogen reduction with an electronic descriptor
10.1021/acs.jpclett.2c02105 · 2022 · External reference
Selectivity of CO2 reduction on copper electrodes: The role of the kinetics of elementary steps
10.1002/anie.201208320 · 2013 · External reference
A theoretical evaluation of possible transition metal electro-catalysts for N2 reduction
10.1039/c1cp22271f · 2012 · External reference
The challenge of electrochemical ammonia synthesis: A new perspective on the role of nitrogen scaling relations
10.1002/cssc.201500322 · 2015 · External reference
Robust wrinkled MoS2/N–C bifunctional electrocatalysts interfaced with single Fe atoms for wearable zinc-air batteries
10.1073/pnas.2110036118 · 2021 · External reference
