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Title: C 2 N-supported single metal ion catalysts for HCOOH dehydrogenation

Abstract

Polarized charges on dual-reactive centers of C 2 N-supported single-atom based transition metal ion catalysts promoting HCOOH dehydrogenation.

Authors:
 [1];  [2]; ORCiD logo [1]; ORCiD logo [1];  [1]; ORCiD logo [3];  [4]; ORCiD logo [5]
  1. Guizhou Provincial Key Laboratory of Computational Nano-Material Science, Institute of Applied Physics, Guizhou Synergetic Innovation Center of Scientific Big Data for Advanced Manufacturing Technology, Guizhou Education University, Guiyang
  2. School of Chemistry and Chemical Engineering, Qufu Normal University, Qufu 273165, P. R. China
  3. Department of Chemistry, University of Southern California, Los Angeles, USA
  4. Key Laboratory for Ultrafine Materials of Ministry of Education, Shanghai Key Laboratory of Advanced Polymeric Materials, School of Materials Science and Engineering, East China University of Science and Technology, Shanghai 200237
  5. Hefei National Laboratory for Physical Sciences at the Microscale, iChEM (Collaborative Innovation Center of Chemistry for Energy Materials), CAS Key Laboratory of Mechanical Behavior and Design of Materials, School of Chemistry and Materials Science, University of Science and Technology of China
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1440268
Grant/Contract Number:  
SC0014429
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Journal of Materials Chemistry A
Additional Journal Information:
Journal Name: Journal of Materials Chemistry A Journal Volume: 6 Journal Issue: 24; Journal ID: ISSN 2050-7488
Publisher:
Royal Society of Chemistry (RSC)
Country of Publication:
United Kingdom
Language:
English

Citation Formats

Zhong, Wenhui, Liu, Yuxia, Deng, Mingsen, Zhang, Yachao, Jia, Chuanyi, Prezhdo, Oleg V., Yuan, Jianyong, and Jiang, Jun. C 2 N-supported single metal ion catalysts for HCOOH dehydrogenation. United Kingdom: N. p., 2018. Web. doi:10.1039/C8TA02299B.
Zhong, Wenhui, Liu, Yuxia, Deng, Mingsen, Zhang, Yachao, Jia, Chuanyi, Prezhdo, Oleg V., Yuan, Jianyong, & Jiang, Jun. C 2 N-supported single metal ion catalysts for HCOOH dehydrogenation. United Kingdom. doi:10.1039/C8TA02299B.
Zhong, Wenhui, Liu, Yuxia, Deng, Mingsen, Zhang, Yachao, Jia, Chuanyi, Prezhdo, Oleg V., Yuan, Jianyong, and Jiang, Jun. Mon . "C 2 N-supported single metal ion catalysts for HCOOH dehydrogenation". United Kingdom. doi:10.1039/C8TA02299B.
@article{osti_1440268,
title = {C 2 N-supported single metal ion catalysts for HCOOH dehydrogenation},
author = {Zhong, Wenhui and Liu, Yuxia and Deng, Mingsen and Zhang, Yachao and Jia, Chuanyi and Prezhdo, Oleg V. and Yuan, Jianyong and Jiang, Jun},
abstractNote = {Polarized charges on dual-reactive centers of C 2 N-supported single-atom based transition metal ion catalysts promoting HCOOH dehydrogenation.},
doi = {10.1039/C8TA02299B},
journal = {Journal of Materials Chemistry A},
number = 24,
volume = 6,
place = {United Kingdom},
year = {2018},
month = {1}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1039/C8TA02299B

Citation Metrics:
Cited by: 4 works
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Works referenced in this record:

Generalized Gradient Approximation Made Simple
journal, October 1996

  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865

Spin-State Regulation of Perovskite Cobaltite to Realize Enhanced Oxygen Evolution Activity
journal, November 2017


Scanning Tunneling Microscopy Study of Formate Species Synthesized from CO 2 Hydrogenation and Prepared by Adsorption of Formic Acid over Cu(111)
journal, February 2000

  • Fujitani, T.; Choi, Y.; Sano, M.
  • The Journal of Physical Chemistry B, Vol. 104, Issue 6
  • DOI: 10.1021/jp9920242

Graphitic carbon nitride supported single-atom catalysts for efficient oxygen evolution reaction
journal, January 2016

  • Li, Xiyu; Cui, Peng; Zhong, Wenhui
  • Chemical Communications, Vol. 52, Issue 90
  • DOI: 10.1039/C6CC07049C

Molecular Scaffolding Strategy with Synergistic Active Centers To Facilitate Electrocatalytic CO 2 Reduction to Hydrocarbon/Alcohol
journal, November 2017

  • Jiao, Yan; Zheng, Yao; Chen, Ping
  • Journal of the American Chemical Society, Vol. 139, Issue 49
  • DOI: 10.1021/jacs.7b10817

Mimicking Peroxidase Activities with Prussian Blue Nanoparticles and Their Cyanometalate Structural Analogues
journal, July 2017

  • Vázquez-González, Margarita; Torrente-Rodríguez, Rebeca M.; Kozell, Anna
  • Nano Letters, Vol. 17, Issue 8
  • DOI: 10.1021/acs.nanolett.7b02102

Isolated Metal Atom Geometries as a Strategy for Selective Heterogeneous Hydrogenations
journal, March 2012

  • Kyriakou, Georgios; Boucher, Matthew B.; Jewell, April D.
  • Science, Vol. 335, Issue 6073
  • DOI: 10.1126/science.1215864

Multiwfn: A multifunctional wavefunction analyzer
journal, December 2011

  • Lu, Tian; Chen, Feiwu
  • Journal of Computational Chemistry, Vol. 33, Issue 5
  • DOI: 10.1002/jcc.22885

Highly Active Graphene Oxide-Supported Cobalt Single-Ion Catalyst for Chemiluminescence Reaction
journal, December 2017


The influence of polarization functions on molecular orbital hydrogenation energies
journal, January 1973

  • Hariharan, P. C.; Pople, J. A.
  • Theoretica Chimica Acta, Vol. 28, Issue 3
  • DOI: 10.1007/BF00533485

Catalytically active single-atom niobium in graphitic layers
journal, May 2013

  • Zhang, Xuefeng; Guo, Junjie; Guan, Pengfei
  • Nature Communications, Vol. 4, Issue 1
  • DOI: 10.1038/ncomms2929

A first principles comparison of the mechanism and site requirements for the electrocatalytic oxidation of methanol and formic acid over Pt
journal, January 2009

  • Neurock, Matthew; Janik, Michael; Wieckowski, Andrzej
  • Faraday Discuss., Vol. 140
  • DOI: 10.1039/B804591G

Bimetallic Cu–Pd alloy multipods and their highly electrocatalytic performance for formic acid oxidation and oxygen reduction
journal, January 2017

  • Chen, Dong; Sun, Pengcheng; Liu, Hui
  • Journal of Materials Chemistry A, Vol. 5, Issue 9
  • DOI: 10.1039/C6TA10476B

What is NBO analysis and how is it useful?
journal, June 2016

  • Weinhold, F.; Landis, C. R.; Glendening, E. D.
  • International Reviews in Physical Chemistry, Vol. 35, Issue 3
  • DOI: 10.1080/0144235X.2016.1192262

Nitrogen-doped porous carbon nanosheets derived from poly(ionic liquid)s: hierarchical pore structures for efficient CO 2 capture and dye removal
journal, January 2016

  • Gong, Jiang; Lin, Huijuan; Antonietti, Markus
  • Journal of Materials Chemistry A, Vol. 4, Issue 19
  • DOI: 10.1039/C6TA01945E

Single Isolated Pd 2+ Cations Supported on N-Doped Carbon as Active Sites for Hydrogen Production from Formic Acid Decomposition
journal, December 2015

  • Bulushev, Dmitri A.; Zacharska, Monika; Shlyakhova, Elena V.
  • ACS Catalysis, Vol. 6, Issue 2
  • DOI: 10.1021/acscatal.5b02381

Quantitative Determination of the Catalytic Activity of Bulk Metal Oxides for Formic Acid Oxidation
journal, September 2002


Theoretical Elucidation of the Competitive Electro-oxidation Mechanisms of Formic Acid on Pt(111)
journal, December 2010

  • Gao, Wang; Keith, John A.; Anton, Josef
  • Journal of the American Chemical Society, Vol. 132, Issue 51
  • DOI: 10.1021/ja1083317

Cobalt Oxide Encapsulated in C 2 N- h 2D Network Polymer as a Catalyst for Hydrogen Evolution
journal, June 2015


Highly Efficient Thermal and Light-Induced Spin-State Switching of an Fe(II) Complex in Direct Contact with a Solid Surface
journal, August 2015


One-Pot Synthesis of Platinum-Based Nanoparticles Incorporated into Mesoporous Niobium Oxide−Carbon Composites for Fuel Cell Electrodes
journal, July 2009

  • Orilall, M. Christopher; Matsumoto, Futoshi; Zhou, Qin
  • Journal of the American Chemical Society, Vol. 131, Issue 26
  • DOI: 10.1021/ja903296r

Au@Pd core–shell nanoclusters growing on nitrogen-doped mildly reduced graphene oxide with enhanced catalytic performance for hydrogen generation from formic acid
journal, January 2013

  • Wang, Zhi-Li; Yan, Jun-Min; Wang, Hong-Li
  • Journal of Materials Chemistry A, Vol. 1, Issue 41
  • DOI: 10.1039/c3ta12531a

Facile synthesis of PdNi nanowire networks supported on reduced graphene oxide with enhanced catalytic performance for formic acid oxidation
journal, January 2015

  • Bin, Duan; Yang, Beibei; Ren, Fangfang
  • Journal of Materials Chemistry A, Vol. 3, Issue 26
  • DOI: 10.1039/C5TA02829A

Hydrogen adsorption of novel N-doped carbon nanotubes functionalized with Scandium
journal, August 2015


New Insight into the Decomposition Mechanism of Formic Acid on Pd(111): Competing Formation of CO 2 and CO
journal, January 2014

  • Wang, Yingying; Qi, Yuanyuan; Zhang, Dongju
  • The Journal of Physical Chemistry C, Vol. 118, Issue 4
  • DOI: 10.1021/jp410742p

A Stable and Cost-Effective Anode Catalyst Structure for Formic Acid Fuel Cells
journal, December 2008

  • Uhm, Sunghyun; Lee, Hye Jin; Kwon, Youngkook
  • Angewandte Chemie International Edition, Vol. 47, Issue 52
  • DOI: 10.1002/anie.200803466

Synthesis of Tetrahexahedral Platinum Nanocrystals with High-Index Facets and High Electro-Oxidation Activity
journal, May 2007


Kinetics and Mechanism of the Electrooxidation of Formic Acid—Spectroelectrochemical Studies in a Flow Cell
journal, January 2006

  • Chen, Yan Xia; Heinen, Martin; Jusys, Zenonas
  • Angewandte Chemie International Edition, Vol. 45, Issue 6
  • DOI: 10.1002/anie.200502172

Accurate Density Functional with Correct Formal Properties: A Step Beyond the Generalized Gradient Approximation
journal, March 1999


Single-atom catalysis of CO oxidation using Pt1/FeOx
journal, July 2011

  • Qiao, Botao; Wang, Aiqin; Yang, Xiaofeng
  • Nature Chemistry, Vol. 3, Issue 8
  • DOI: 10.1038/nchem.1095

PdM nanoparticles (M = Ni, Co, Fe, Mn) with high activity and stability in formic acid oxidation synthesized by sonochemical reactions
journal, September 2014


Control of Magnetic Properties through External Stimuli
journal, March 2007

  • Sato, Osamu; Tao, Jun; Zhang, Yuan-Zhu
  • Angewandte Chemie International Edition, Vol. 46, Issue 13
  • DOI: 10.1002/anie.200602205

Mimicking Horseradish Peroxidase Functions Using Cu 2+ -Modified Carbon Nitride Nanoparticles or Cu 2+ -Modified Carbon Dots as Heterogeneous Catalysts
journal, February 2017

  • Vázquez-González, Margarita; Liao, Wei-Ching; Cazelles, Rémi
  • ACS Nano, Vol. 11, Issue 3
  • DOI: 10.1021/acsnano.7b00352

The path of chemical reactions - the IRC approach
journal, December 1981


Hydrogen production from formic acid decomposition at room temperature using a Ag–Pd core–shell nanocatalyst
journal, April 2011

  • Tedsree, Karaked; Li, Tong; Jones, Simon
  • Nature Nanotechnology, Vol. 6, Issue 5
  • DOI: 10.1038/nnano.2011.42

A Facile Synthesis of MPd (M = Co, Cu) Nanoparticles and Their Catalysis for Formic Acid Oxidation
journal, January 2012

  • Mazumder, Vismadeb; Chi, Miaofang; Mankin, Max N.
  • Nano Letters, Vol. 12, Issue 2
  • DOI: 10.1021/nl2045588

Direct, Nonoxidative Conversion of Methane to Ethylene, Aromatics, and Hydrogen
journal, May 2014


Quantum Mechanical Continuum Solvation Models
journal, August 2005

  • Tomasi, Jacopo; Mennucci, Benedetta; Cammi, Roberto
  • Chemical Reviews, Vol. 105, Issue 8
  • DOI: 10.1021/cr9904009

Formic Acid Dehydrogenation on Ni(111) and Comparison with Pd(111) and Pt(111)
journal, February 2012

  • Luo, Qiquan; Feng, Gang; Beller, Matthias
  • The Journal of Physical Chemistry C, Vol. 116, Issue 6
  • DOI: 10.1021/jp209998r

Activation of surface lattice oxygen in single-atom Pt/CeO 2 for low-temperature CO oxidation
journal, December 2017


Nitrogenated holey two-dimensional structures
journal, March 2015

  • Mahmood, Javeed; Lee, Eun Kwang; Jung, Minbok
  • Nature Communications, Vol. 6, Issue 1
  • DOI: 10.1038/ncomms7486

Formulation of the reaction coordinate
journal, November 1970


Design of Efficient Catalysts with Double Transition Metal Atoms on C 2 N Layer
journal, April 2016