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Articles by Erjun Kan
Concentrating and directing energy flow in plasmonic heterostructures for stable and efficient light-driven methane dry reforming - Nature Communications
Abstract Methane dry reforming offers a promising approach for converting CH4 and CO2 into valuable syngas, while its application is restricted by catalyst deactivation and carbon deposition.
Bias-controlled multistate spintronics with giant TMR and polarity switch via localized spin states in 2D half-metals
Abstract The relentless downscaling of integrated circuit systems imposes critical demands on spintronic technologies, particularly requiring superior storage density and efficient tunability beyond conventional magnetic-field approaches. A notable challenge persists in realizing multistate spintronic devices with electrical control at nanoscale. Here, we propose a breakthrough strategy for achieving bias-controlled giant tunneling magnetoresistance (TMR) for multistate memory applications.
Negative Piezoelectric Response in YS2
Monolayer Transition-metal dichalcogenides commonly adopt 1T and 1H structures in their two-dimensional van der Waals monolayer forms, such as 1T/1H-MoS 2 and related systems. (28) Therefore, we define: EH–T = EH – ET as the relative energy between phases, where EH and ET denote the absolute energies of 1H and 1T structures, respectively, in TMX 2 (TM = Y; X = S, Se, Te) monolayers. The negative value of EH–T indicates that the 1H structure is the ground state compared to the 1T phase.
Synergistic Spin-Ligand Effects on the Oxygen Reduction Activity of FePPc Electrocatalyst
Synergistic Spin-Ligand Effects on the Oxygen Reduction Activity of FePPc Electrocatalyst As a typical Single-atom catalyst (SAC), Iron(II) polyphthalocyanine (FePPcs) with Fe-N4 structure was experimentally found to have excellent ORR activity. Spin-related effects have been found to significantly influence the ORR activity of graphene-based TM N-C SACs, while it is seldom discussed in TMPPc catalysts, which-severely limits the development of this material family for fuel cell applications.
Unveiling the autocatalytic growth of Li2S crystals at the solid-liquid interface in lithium-sulfur batteries - Nature Communications
Abstract Electrocatalysts are extensively employed to suppress the shuttling effect in lithium-sulfur (Li-S) batteries. However, it remains challenging to probe the sulfur redox reactions and mechanism at the electrocatalyst/LiPS interface after the active sites are covered by the solid discharge products Li2S/Li2S2. Here, we demonstrate the intrinsic autocatalytic activity of the Li2S (100) plane towards lithium polysulfides on single-atom nickel (SANi) electrocatalysts.
Charge doping effect on sliding ferroelectricity by first-principles calculations
Sliding ferroelectric materials present a promising avenue for achieving out-of-plane ferroelectricity in two-dimensional systems, yet further research is imperative to elucidate their intricate microscopic mechanisms. Here, we investigated the charge doping effect on sliding ferroelectricity by first-principles calculations. We found that the ferroelectric polarization and conductivity can coexist at low doping concentrations.
Prediction of pure carbon crystals with intrinsic antiferromagnetism: polymerized from C20 fullerene†
Prediction of pure carbon crystals with intrinsic antiferromagnetism: polymerized from C20 fullerene† Pure carbon materials with magnetic properties have attracted considerable research interest due to their advantages over the traditional magnetic materials. Nevertheless, such materials are exceedingly rare. Disrupting the Kekulé valence structures in carbon materials potentially lead to the emergence of magnetism.
Prediction of superhard C1+xN1-x compounds with metal-free magnetism and narrow band gaps†
Prediction of superhard C1+xN1-x compounds with metal-free magnetism and narrow band gaps† The scarcity of superhard materials with magnetism or a narrow band gap, despite their potential applications in various fields, makes it desirable to design such materials. Here, a series of C1+xN1-x compounds are theoretically designed by replacing different numbers of nitrogen atoms with carbon atoms in the synthesized C1N1 compound.
Overall Photocatalytic CO2 Reduction over Heterogeneous Semiconductor Photocatalysts
Abstract The overall photocatalytic CO2 reduction reaction (PCRR), which uses solar energy to convert CO2 and H2O into chemical feedstocks or fuels without sacrificial reagents, plays a momentous role in CO2 utilization and solar energy conversion. However, significant challenges remain in achieving efficient conversion. Researchers have explored various strategies to realize the overall PCRR efficiently.
Tunable Single-Atom Catalysis of CO Oxidation on a Transition Metal-Anchored Defective In2Se3 Monolayer
Single-atom catalysts (SACs) have attracted extensive attention owing to their high atom efficiency and catalytic activity. However, their superior catalytic properties can hardly be manipulated without a suitable substrate.
Popcorn-like Co3O4 Nanoparticles Confined in Three-Dimensional Hierarchical N-doped carbon nanotubes Networks as Highly Efficient Trifunctional Electrocatalyst for Zinc-Air Batteries and Water Splitting Device
Popcorn-like Co3O4 Nanoparticles Confined in Three-Dimensional Hierarchical N-doped carbon nanotubes Networks as Highly Efficient Trifunctional Electrocatalyst for Zinc-Air Batteries and Water Splitting Device A novel unique popcorn-like three-dimensional (3D) hierarchical structural electrocatalyst is synthesized by the pyrolysis of ZIF-8/ZIF-67 and polyacrylonitrile fibers composites, where popcorn-like Co3O4 nanoparticles coated with nitrogen-doped amorphous carbon anchor onto the tips of...
Tunable Ferroelectric Single-atom Catalysis of CO Oxidation using Pt/In2Se3 Monolayer
Tunable Ferroelectric Single-atom Catalysis of CO Oxidation using Pt/In2Se3 Monolayer Catalysts with single-atom dispersions can not only minimize materials usage but also exhibit fascinating activity. However, their superior catalytic properties can hardly be manipulated without a suitable substrate.
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