Sulfur-modulated isolated NiNx sites toward electrocatalytic hydrogen peroxide generation

[1]  Hao Tan,et al.  Cation‐Vacancy‐Enriched Nickel Phosphide for Efficient Electrosynthesis of Hydrogen Peroxides , 2022, Advanced materials.

[2]  X. Tan,et al.  Regulating electron transfer over asymmetric low-spin Co(II) for highly selective electrocatalysis , 2022, Chem Catalysis.

[3]  Lei Shi,et al.  Strongly Coupled Cobalt Diselenide Monolayers Selectively Catalyze Oxygen Reduction to H2O2 in an Acidic Environment. , 2021, Angewandte Chemie.

[4]  Tej S. Choksi,et al.  Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide , 2021, Advanced materials.

[5]  Shenlong Zhao,et al.  Insight into Structural Evolution, Active Site and Stability of Heterogeneous Electrocatalysts. , 2021, Angewandte Chemie.

[6]  M. Shao,et al.  Approaching a High-Rate and Sustainable Production of Hydrogen Peroxide: Oxygen Reduction on Co-N-C Single-Atom Electrocatalysts in Simulated Seawater , 2021, Energy & Environmental Science.

[7]  Y. Jiao,et al.  Tailoring Acidic Oxygen Reduction Selectivity on Single-Atom Catalysts via Modification of First and Second Coordination Spheres. , 2021, Journal of the American Chemical Society.

[8]  X. Lou,et al.  Atomically Dispersed Reactive Centers for Electrocatalytic CO2 Reduction and Water Splitting , 2020, Angewandte Chemie.

[9]  Shiguo Zhang,et al.  Electroreduction of Carbon Dioxide Driven by the Intrinsic Defects in the Carbon Plane of a Single Fe–N4 Site , 2020, Advanced materials.

[10]  J. Rossmeisl,et al.  Highly active, selective, and stable Pd single-atom catalyst anchored on N-doped hollow carbon sphere for electrochemical H2O2 synthesis under acidic conditions , 2020 .

[11]  Changpeng Liu,et al.  Preferentially Engineering FeN4 Edge Sites onto Graphitic Nanosheets for Highly Active and Durable Oxygen Electrocatalysis in Rechargeable Zn–Air Batteries , 2020, Advanced materials.

[12]  H. Xin,et al.  Modulating single-atom Pd sites with Cu for enhanced ambient ammonia electrosynthesis. , 2020, Angewandte Chemie.

[13]  Daobin Liu,et al.  Structural Regulation and Support Coupling Effect of Single‐Atom Catalysts for Heterogeneous Catalysis , 2020, Advanced Energy Materials.

[14]  Zhenfeng Huang,et al.  Isolated FeN4 Sites for Efficient Electrocatalytic CO2 Reduction , 2020, Advanced science.

[15]  Haotian Wang,et al.  Catalyst Design for Electrochemical Oxygen Reduction toward Hydrogen Peroxide , 2020, Advanced Functional Materials.

[16]  Yadong Li,et al.  Engineering unsymmetrically coordinated Cu-S1N3 single atom sites with enhanced oxygen reduction activity , 2020, Nature Communications.

[17]  M. Karamad,et al.  Building and identifying highly active oxygenated groups in carbon materials for oxygen reduction to H2O2 , 2020, Nature Communications.

[18]  Steven R. Denny,et al.  Promoting H2O2 production via 2-electron oxygen reduction by coordinating partially oxidized Pd with defect carbon , 2020, Nature Communications.

[19]  Qinghua Zhang,et al.  High-efficiency oxygen reduction to hydrogen peroxide catalyzed by Ni single atom catalysts with tetradentate N2O2 coordination in a three-phase flow cell. , 2020, Angewandte Chemie.

[20]  Yadong Li,et al.  In-Situ Phosphatizing of Triphenylphosphine Encapsulated within Metal-Organic-Frameworks to Design Atomic Co1-P1N3 Interfacial Structure for Promoting Catalytic Performance. , 2020, Journal of the American Chemical Society.

[21]  Xianlong Zhou,et al.  Tailoring Selectivity of Electrochemical Hydrogen Peroxide Generation by Tunable Pyrrolic‐Nitrogen‐Carbon , 2020, Advanced Energy Materials.

[22]  Yadong Li,et al.  Chemical Synthesis of Single Atomic Site Catalysts. , 2020, Chemical reviews.

[23]  Qiang Zhang,et al.  Coordination Tunes Selectivity: Two-Electron Oxygen Reduction on High-Loading Molybdenum Single-Atom Catalysts. , 2020, Angewandte Chemie.

[24]  H. Yang,et al.  Enabling Direct H2O2 Production in Acidic Media through Rational Design of Transition Metal Single Atom Catalyst , 2020, Chem.

[25]  Taeghwan Hyeon,et al.  Atomic-level tuning of Co–N–C catalyst for high-performance electrochemical H2O2 production , 2020, Nature Materials.

[26]  Yang Xia,et al.  Direct electrosynthesis of pure aqueous H2O2 solutions up to 20% by weight using a solid electrolyte , 2019, Science.

[27]  Yongfeng Hu,et al.  Highly selective oxygen reduction to hydrogen peroxide on transition metal single atom coordination , 2019, Nature Communications.

[28]  T. Bligaard,et al.  Adsorption on transition metal surfaces: Transferability and accuracy of DFT using the ADS41 dataset , 2019, Physical Review B.

[29]  Shuang Li,et al.  Activity-selectivity trends in the electrochemical production of hydrogen peroxide over single site metal-nitrogen-carbon catalysts. , 2019, Journal of the American Chemical Society.

[30]  Jinwoo Lee,et al.  Versatile Strategy for Tuning ORR Activity of a Single Fe-N4 Site by Controlling Electron-Withdrawing/Donating Properties of a Carbon Plane. , 2019, Journal of the American Chemical Society.

[31]  A. Kulkarni,et al.  Single Metal Atoms Anchored in Two‐Dimensional Materials: Bifunctional Catalysts for Fuel Cell Applications , 2018 .

[32]  D. Sokaras,et al.  Designing Boron Nitride Islands in Carbon Materials for Efficient Electrochemical Synthesis of Hydrogen Peroxide. , 2018, Journal of the American Chemical Society.

[33]  Michael B. Ross,et al.  Efficient hydrogen peroxide generation using reduced graphene oxide-based oxygen reduction electrocatalysts , 2018, Nature Catalysis.

[34]  W. Chu,et al.  Exclusive Ni-N4 Sites Realize Near-Unity CO Selectivity for Electrochemical CO2 Reduction. , 2017, Journal of the American Chemical Society.

[35]  Michael Walter,et al.  The atomic simulation environment-a Python library for working with atoms. , 2017, Journal of physics. Condensed matter : an Institute of Physics journal.

[36]  Jeffrey Greeley,et al.  Theoretical Heterogeneous Catalysis: Scaling Relationships and Computational Catalyst Design. , 2016, Annual review of chemical and biomolecular engineering.

[37]  Yi Luo,et al.  Single‐Atom Pt as Co‐Catalyst for Enhanced Photocatalytic H2 Evolution , 2016, Advanced materials.

[38]  K. Hashimoto,et al.  Platinum-modified covalent triazine frameworks hybridized with carbon nanoparticles as methanol-tolerant oxygen reduction electrocatalysts , 2014, Nature Communications.

[39]  Lei Cheng,et al.  Effects of van der Waals density functional corrections on trends in furfural adsorption and hydrogenation on close-packed transition metal surfaces , 2014 .

[40]  Ib Chorkendorff,et al.  Trends in the electrochemical synthesis of H2O2: enhancing activity and selectivity by electrocatalytic site engineering. , 2014, Nano letters.

[41]  Fujio Izumi,et al.  VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data , 2011 .

[42]  Jan Rossmeisl,et al.  Density functional studies of functionalized graphitic materials with late transition metals for Oxygen Reduction Reactions. , 2011, Physical chemistry chemical physics : PCCP.

[43]  Stefan Grimme,et al.  Effect of the damping function in dispersion corrected density functional theory , 2011, J. Comput. Chem..

[44]  Stefano de Gironcoli,et al.  QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials , 2009, Journal of physics. Condensed matter : an Institute of Physics journal.

[45]  Ture R. Munter,et al.  Scaling properties of adsorption energies for hydrogen-containing molecules on transition-metal surfaces. , 2007, Physical review letters.

[46]  H. Jónsson,et al.  Origin of the Overpotential for Oxygen Reduction at a Fuel-Cell Cathode. , 2004, The journal of physical chemistry. B.

[47]  L. Bengtsson,et al.  Dipole correction for surface supercell calculations , 1999 .

[48]  Burke,et al.  Generalized Gradient Approximation Made Simple. , 1996, Physical review letters.

[49]  D. Vanderbilt,et al.  Soft self-consistent pseudopotentials in a generalized eigenvalue formalism. , 1990, Physical review. B, Condensed matter.

[50]  H. Monkhorst,et al.  SPECIAL POINTS FOR BRILLOUIN-ZONE INTEGRATIONS , 1976 .

[51]  Ib Chorkendorff,et al.  Enabling direct H2O2 production through rational electrocatalyst design. , 2013, Nature materials.