Journal ArticleDOI
Ultrathin metal–organic framework nanosheets for electrocatalytic oxygen evolution
Shenlong Zhao,Shenlong Zhao,Yun Wang,Juncai Dong,Chun-Ting He,Huajie Yin,Huajie Yin,Pengfei An,Kun Zhao,Xiaofei Zhang,Chao Gao,Lijuan Zhang,Lijuan Zhang,Jiawei Lv,Jinxin Wang,Jinxin Wang,Jianqi Zhang,Abdul Muqsit Khattak,Niaz Ali Khan,Zhixiang Wei,Jing Zhang,Shaoqin Liu,Huijun Zhao,Zhiyong Tang +23 more
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TLDR
In this paper, the authors reported ultrathin metal-organic frameworks (MOFs) as promising electrocatalysts for the oxygen evolution reaction (OER) in alkaline conditions.Abstract:
The design and synthesis of efficient electrocatalysts are important for electrochemical conversion technologies. The oxygen evolution reaction (OER) is a key process in such conversions, having applications in water splitting and metal–air batteries. Here, we report ultrathin metal–organic frameworks (MOFs) as promising electrocatalysts for the OER in alkaline conditions. Our as-prepared ultrathin NiCo bimetal–organic framework nanosheets on glassy-carbon electrodes require an overpotential of 250 mV to achieve a current density of 10 mA cm−2. When the MOF nanosheets are loaded on copper foam, this decreases to 189 mV. We propose that the surface atoms in the ultrathin MOF sheets are coordinatively unsaturated—that is, they have open sites for adsorption—as evidenced by a suite of measurements, including X-ray spectroscopy and density-functional theory calculations. The findings suggest that the coordinatively unsaturated metal atoms are the dominating active centres and the coupling effect between Ni and Co metals is crucial for tuning the electrocatalytic activity. Efficient electrocatalysts for the oxygen–evolution reaction are desired due to their importance in applications such as water splitting and metal–air batteries. Here, the authors engineer ultrathin metal–organic frameworks that require low overpotential to generate oxygen from alkaline media.read more
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Cocatalysts for Selective Photoreduction of CO2 into Solar Fuels.
TL;DR: Various cocatalysts, such as the biomimetic, metal-based,Metal-free, and multifunctional ones, and their selectivity for CO2 photoreduction are summarized and discussed, along with the recent advances in this area.
Journal ArticleDOI
Emerging Two-Dimensional Nanomaterials for Electrocatalysis
Huanyu Jin,Chunxian Guo,Xin Liu,Jinlong Liu,Anthony Vasileff,Yan Jiao,Yao Zheng,Shi-Zhang Qiao +7 more
TL;DR: The fundamental relationships between electronic structure, adsorption energy, and apparent activity for a wide variety of 2D electrocatalysts are described with the goal of providing a better understanding of these emerging nanomaterials at the atomic level.
Journal ArticleDOI
General synthesis and definitive structural identification of MN4C4 single-atom catalysts with tunable electrocatalytic activities
Huilong Fei,Juncai Dong,Yexin Feng,Christopher S. Allen,Chengzhang Wan,Boris Volosskiy,Mufan Li,Zipeng Zhao,Yiliu Wang,Hongtao Sun,Pengfei An,Wenxing Chen,Zhiying Guo,Chain Lee,Dongliang Chen,Imran Shakir,Mingjie Liu,Tiandou Hu,Yadong Li,Angus I. Kirkland,Xiangfeng Duan,Yu Huang +21 more
TL;DR: In this paper, a general approach to a series of monodispersed atomic transition metals (for example, Fe, Co, Ni) embedded in nitrogen-doped graphene with a common MN4C4 moiety, identified by systematic X-ray absorption fine structure analyses and direct transmission electron microscopy imaging, was reported.
Journal ArticleDOI
Defect Chemistry of Nonprecious-Metal Electrocatalysts for Oxygen Reactions
TL;DR: The recent development of this concept is reviewed here and a novel principle for the design of oxygen electrocatalysts is proposed and an overview of the defects in carbon-based, metal-free electrocatalysis for ORR and various defects in metal oxides/selenides for OER is provided.
Journal ArticleDOI
Electrocatalytic oxygen evolution reaction for energy conversion and storage: A comprehensive review
Muhammad Tahir,Muhammad Tahir,Lun Pan,Lun Pan,Faryal Idrees,Xiangwen Zhang,Li Wang,Ji-Jun Zou,Zhong Lin Wang,Zhong Lin Wang +9 more
TL;DR: In this paper, a review article summarizes the very recent efforts in the field of OER electrocatalysis along with the faced challenges and solutions to these challenges also outline with appropriate examples of scientific literatures.
References
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Journal ArticleDOI
Generalized Gradient Approximation Made Simple
TL;DR: A simple derivation of a simple GGA is presented, in which all parameters (other than those in LSD) are fundamental constants, and only general features of the detailed construction underlying the Perdew-Wang 1991 (PW91) GGA are invoked.
Journal ArticleDOI
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set.
Georg Kresse,Jürgen Furthmüller +1 more
TL;DR: An efficient scheme for calculating the Kohn-Sham ground state of metallic systems using pseudopotentials and a plane-wave basis set is presented and the application of Pulay's DIIS method to the iterative diagonalization of large matrices will be discussed.
Journal ArticleDOI
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
Georg Kresse,Jürgen Furthmüller +1 more
TL;DR: A detailed description and comparison of algorithms for performing ab-initio quantum-mechanical calculations using pseudopotentials and a plane-wave basis set is presented in this article. But this is not a comparison of our algorithm with the one presented in this paper.
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Journal ArticleDOI
A perovskite oxide optimized for oxygen evolution catalysis from molecular orbital principles.
TL;DR: The high activity of BSCF was predicted from a design principle established by systematic examination of more than 10 transition metal oxides, which showed that the intrinsic OER activity exhibits a volcano-shaped dependence on the occupancy of the 3d electron with an eg symmetry of surface transition metal cations in an oxide.
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