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Single Mo Atom Supported on Defective Boron Nitride Monolayer as an Efficient Electrocatalyst for Nitrogen Fixation: A Computational Study
American Chemical Society | 2017| -
Mechanical degradation of graphene by epoxidation: insights from first-principles calculations
Online Contents | 2015| -
Cu dimer anchored on C2N monolayer: low-cost and efficient Bi-atom catalyst for CO oxidation
Royal Society of Chemistry | 2018| -
TOWARDS HIGH-PERFORMANCEPGM-FREE ORR ELECTROCATALYSTS: INTERPLAY BETWEEN THEORY AND EXPERIMENT
British Library Conference Proceedings | 2019| -
Carbon-Doped Boron Nitride Nanosheet: An Efficient Metal-Free Electrocatalyst for the Oxygen Reduction Reaction
American Chemical Society | 2015| -
Tuning Electronic Properties of Germanane Layers by External Electric Field and Biaxial Tensile Strain: A Computational Study
American Chemical Society | 2014| -
XH/π (X = C, Si) Interactions in Graphene and Silicene: Weak in Strength, Strong in Tuning Band Structures
American Chemical Society | 2013| -
Tuning electronic and magnetic properties of MoO3 sheets by cutting, hydrogenation, and external strain: a computational investigation
National licenceRoyal Society of Chemistry | 2013| -
Patterned Partially Hydrogenated Graphene (C4H) and Its One-Dimensional Analogues: A Computational Study
American Chemical Society | 2012| -
Graphene-related nanomaterials: tuning properties by functionalization
National licenceRoyal Society of Chemistry | 2013| -
Quantum spin hall insulators in strain-modified arsenene
National licenceRoyal Society of Chemistry | 2015| -
Two-Dimensional Y2C Electride: A Promising Anode Material for Na-Ion Batteries
American Chemical Society | 2016| -
Curved Pi-Conjugation, Aromaticity, and the Related Chemistry of Small Fullerenes (60) and Single-Walled Carbon Nanotubes
American Chemical Society | 2005| -
Not your familiar two dimensional transition metal disulfide: structural and electronic properties of the PdS2 monolayer
National licenceRoyal Society of Chemistry | 2015| -
COMPUTATIONAL QUEST FOR HIGH-PERFORMANCE ELECTROCATALYSTS FOR NITROGEN FIXATION
British Library Conference Proceedings | 2019|
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