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      Mesoporous Boron‐Doped Carbon with Curved B 4C Active Sites for Highly Efficient H 2O 2 Electrosynthesis in Neutral Media and Air‐Supplied Environments

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          Abstract

          Hydrogen peroxide (H 2O 2) electrosynthesis via the 2e oxygen reduction reaction (ORR) is considered as a cost‐effective and safe alternative to the energy‐intensive anthraquinone process. However, in more practical environments, namely, the use of neutral media and air‐fed cathode environments, slow ORR kinetics and insufficient oxygen supply pose significant challenges to efficient H 2O 2 production at high current densities. In this work, mesoporous B‐doped carbons with novel curved B 4C active sites, synthesized via a carbon dioxide (CO 2) reduction using a pore‐former agent, to simultaneously achieve excellent 2e ORR activity and improved mass transfer properties are introduced. Through a combination of experimental analysis and theoretical calculations, it is confirmed that the curved B 4C configuration, formed by mesopores in the carbon, demonstrates superior selectivity and activity for 2e ORR due to its weaker interaction with *OOH intermediates compared to planar B 4C in neutral media. Moreover, the mesopores facilitate oxygen supply and suppress the hydrogen evolution reaction, achieving a Faradaic efficiency of 86.2% at 150 mA cm −2 under air‐supplied conditions, along with an impressive O 2 utilization efficiency of 93.6%. This approach will provide a route to catalyst design for efficient H 2O 2 electrosynthesis in a practical environment.

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          Is Open Access

          LOBSTER: A tool to extract chemical bonding from plane‐wave based DFT

          The computer program LOBSTER (Local Orbital Basis Suite Towards Electronic‐Structure Reconstruction) enables chemical‐bonding analysis based on periodic plane‐wave (PAW) density‐functional theory (DFT) output and is applicable to a wide range of first‐principles simulations in solid‐state and materials chemistry. LOBSTER incorporates analytic projection routines described previously in this very journal [J. Comput. Chem. 2013, 34, 2557] and offers improved functionality. It calculates, among others, atom‐projected densities of states (pDOS), projected crystal orbital Hamilton population (pCOHP) curves, and the recently introduced bond‐weighted distribution function (BWDF). The software is offered free‐of‐charge for non‐commercial research. © 2016 The Authors. Journal of Computational Chemistry Published by Wiley Periodicals, Inc.
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            Atomic-level tuning of Co–N–C catalyst for high-performance electrochemical H2O2 production

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              Boron-Doped Graphene for Electrocatalytic N2 Reduction

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                Author and article information

                Contributors
                Journal
                Advanced Materials
                Advanced Materials
                Wiley
                0935-9648
                1521-4095
                March 2025
                January 15 2025
                March 2025
                : 37
                : 9
                Affiliations
                [1 ] Extreme Materials Research Center Korea Institute of Science and Technology 14‐gil 5 Hwarang‐ro, Seongbuk‐gu Seoul 02792 Republic of Korea
                [2 ] Department of Chemical Engineering Chungbuk National University Cheongju Chungbuk 28644 Republic of Korea
                [3 ] Department of Chemistry Myongji University Yongin 17058 Republic of Korea
                [4 ] Computational Science Research Center Korea Institute of Science and Technology 14‐gil 5 Hwarang‐ro, Seongbuk‐gu Seoul 02792 Republic of Korea
                [5 ] Division of Nano & Information Technology University of Science and Technology (UST) Daejeon 34113 Republic of Korea
                [6 ] Department of Chemical and Biomolecular Engineering Korea Advanced Institute of Science and Technology 291 Daehak‐ro, Yuseong‐gu Daejeon 34141 Republic of Korea
                [7 ] Research Center for Materials Analysis Korea Basic Science Institute 169‐148, Gwahak‐ro, Yuseong‐gu Daejeon 34133 Republic of Korea
                [8 ] KHU‐KIST Department of Converging Science and Technology Kyung Hee University Seoul 02447 Republic of Korea
                Article
                10.1002/adma.202415712
                e2da1faf-c869-48c8-a549-530f27b61652
                © 2025

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