Journal ArticleDOI
Short-Range Ordered Iridium Single Atoms Integrated into Cobalt Oxide Spinel Structure for Highly Efficient Electrocatalytic Water Oxidation.
Jieqiong Shan,Chao Ye,Shuangming Chen,Tulai Sun,Yan Jiao,Lingmei Liu,Chongzhi Zhu,Li Song,Yu Han,Mietek Jaroniec,Yihan Zhu,Yao Zheng,Shi-Zhang Qiao +12 more
TLDR
Y.H.Z. as mentioned in this paper used services offered from the National Computational Infrastructure (NCI) and Phoenix High Performance Computing, which are supported by the Australian Government and the University of Adelaide.Abstract:
This work was financially supported by the Australian Research Council (FL170100154, DP160104866, and DP190103472). Y.H.Z. acknowledges financial support from Zhejiang Provincial Natural Science Foundation of China (LR18B030003), National Natural Science Foundation of China (51701181, 21771161), and the Thousand Talents Program for Distinguished Young Scholars. J.S. was supported by the Chinese CSC Scholarship Program. DFT computations were performed by using services offered from the National Computational Infrastructure (NCI) and Phoenix High Performance Computing, which are supported by the Australian Government and the University of Adelaide. XAS measurements were conducted at the Beijing Synchrotron Radiation Facility (1W1B, BSRF)read more
Citations
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Non-Bonding Interaction of Neighboring Fe and Ni Single-Atom Pairs on MOF-Derived N-Doped Carbon for Enhanced CO2 Electroreduction.
Long Jiao,Juntong Zhu,Yan Zhang,Weijie Yang,Siyuan Zhou,Aowen Li,Chenfan Xie,Xusheng Zheng,Wu Zhou,Shu-Hong Yu,Hai-Long Jiang +10 more
TL;DR: In this article, a novel Fe1-Ni1-N-C catalyst with neighboring Fe and Ni single-atom pairs decorated on nitrogen-doped carbon support has been precisely constructed.
Journal ArticleDOI
A Ni-MOF nanosheet array for efficient oxygen evolution electrocatalysis in alkaline media
Chuqian Meng,Yang Cao,Yonglan Luo,Fang Zhang,Qingquan Kong,Abdulmohsen Ali Alshehri,Khalid Ahmed Alzahrani,Tingshuai Li,Qian Liu,Xuping Sun +9 more
TL;DR: In this paper, the authors used 4,4′-biphenyl dicarboxylic acid as an organic ligand to in situ develop an Ni-MOF nanosheet array on nickel foam as an OER catalyst.
Journal ArticleDOI
Interfacial Fe-O-Ni-O-Fe Bonding Regulates the Active Ni Sites of Ni-MOFs via Iron Doping and Decorating with FeOOH for Super-Efficient Oxygen Evolution.
TL;DR: In this paper , the integration of Fe dopant and interfacial FeOOH into Ni-MOFs [Fe-doped-(Ni-MOF)/FeOOH] to construct Fe-ONi-O-Fe bonding is demonstrated and elucidate the origin of remarkable electrocatalytic performance.
Journal ArticleDOI
Atomically Dispersed Pt-N3C1 Sites Enabling Efficient and Selective Electrocatalytic C-C Bond Cleavage in Lignin Models under Ambient Conditions.
Tingting Cui,Lina Ma,Shibin Wang,Chenliang Ye,Xiao Liang,Zedong Zhang,Ge Meng,Lirong Zheng,Han-Shi Hu,Jiangwei Zhang,Haohong Duan,Dingsheng Wang,Yadong Li +12 more
TL;DR: In this paper, the authors show that atomically dispersed Pt-N3C1 sites planted on nitrogen-doped carbon nanotubes (Pt1/N-CNTs), constructed via a stepwise polymerization-carbonization-electrostatic adsorption strategy, are highly active and selective toward Cα-Cβ bond cleavage in β-O-4 model compounds under ambient conditions.
Journal ArticleDOI
A Durable Half-Metallic Diatomic Catalyst for Efficient Oxygen Reduction
TL;DR: In this paper , the authors design a durable catalysts with high reactivity for ORR in single atomic metal-nitrogen-carbon materials, which have shown immense potential for oxygen reduction reaction.
References
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Generalized Gradient Approximation Made Simple
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Projector augmented-wave method
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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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Combining theory and experiment in electrocatalysis: Insights into materials design
Zhi Wei Seh,Zhi Wei Seh,Zhi Wei Seh,Jakob Kibsgaard,Jakob Kibsgaard,Jakob Kibsgaard,Colin F. Dickens,Colin F. Dickens,Ib Chorkendorff,Jens K. Nørskov,Jens K. Nørskov,Thomas F. Jaramillo,Thomas F. Jaramillo +12 more
TL;DR: A unified theoretical framework highlights the need for catalyst design strategies that selectively stabilize distinct reaction intermediates relative to each other, and opens up opportunities and approaches to develop higher-performance electrocatalysts for a wide range of reactions.