Metal-Coordinated Phthalocyanines as Platform Molecules for Understanding Isolated Metal Sites in th

Chang, Qiaowan; Liu, Yumeng; Lee, Ju-Hyeon; Ologunagba, Damilola; Hwang, Sooyeon; Xie, Zhenhua; Kattel, Shyam; Lee, Ji Hoon; Chen, Jingguang G.

doi:10.1021/jacs.2c06953

Title: Metal-Coordinated Phthalocyanines as Platform Molecules for Understanding Isolated Metal Sites in th

Journal Article · 01 August 2022 · J. Am. Chem. Soc.

DOI:https://doi.org/10.1021/jacs.2c06953· OSTI ID:1900932

Chang, Qiaowan; Liu, Yumeng; Lee, Ju-Hyeon; Ologunagba, Damilola; Hwang, Sooyeon; Xie, Zhenhua; Kattel, Shyam; Lee, Ji Hoon; Chen, Jingguang G.

Cite

Export

Save

Research Organization:: Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)

Sponsoring Organization:: DOE - Office Of Science; DOE - BASIC ENERGY SCIENCES

OSTI ID:: 1900932

Journal Information:: J. Am. Chem. Soc., Vol. 144, Issue (35)

Country of Publication:: United States

Language:: ENGLISH

References (61)

Aqueous CO ₂ Reduction at Very Low Overpotential on Oxide-Derived Au Nanoparticles Chen, Yihong; Li, Christina W.; Kanan, Matthew W. Journal of the American Chemical Society, Vol. 134, Issue 49 https://doi.org/10.1021/ja309317u	journal	November 2012
Monodisperse Au Nanoparticles for Selective Electrocatalytic Reduction of CO ₂ to CO Zhu, Wenlei; Michalsky, Ronald; Metin, Önder Journal of the American Chemical Society, Vol. 135, Issue 45 https://doi.org/10.1021/ja409445p	journal	October 2013
Robust Gold Nanocluster Protected with Amidinates for Electrocatalytic CO ₂ Reduction Yuan, Shang‐Fu; He, Rui‐Lin; Han, Xu‐Shuang Angewandte Chemie International Edition, Vol. 60, Issue 26 https://doi.org/10.1002/anie.202103060	journal	May 2021
Insight into Electrochemical CO ₂ Reduction on Surface-Molecule-Mediated Ag Nanoparticles Kim, Cheonghee; Eom, Taedaehyeong; Jee, Michael Shincheon ACS Catalysis, Vol. 7, Issue 1 https://doi.org/10.1021/acscatal.6b01862	journal	December 2016
Hydrolysis of Electrolyte Cations Enhances the Electrochemical Reduction of CO ₂ over Ag and Cu Singh, Meenesh R.; Kwon, Youngkook; Lum, Yanwei Journal of the American Chemical Society, Vol. 138, Issue 39 https://doi.org/10.1021/jacs.6b07612	journal	September 2016
Understanding of Strain Effects in the Electrochemical Reduction of CO ₂ : Using Pd Nanostructures as an Ideal Platform Huang, Hongwen; Jia, Huanhuan; Liu, Zhao Angewandte Chemie, Vol. 129, Issue 13 https://doi.org/10.1002/ange.201612617	journal	February 2017
Surface Reconstruction of Ultrathin Palladium Nanosheets during Electrocatalytic CO ₂ Reduction Zhao, Yong; Tan, Xin; Yang, Wanfeng Angewandte Chemie, Vol. 132, Issue 48 https://doi.org/10.1002/ange.202009616	journal	September 2020
Tuning the activity and selectivity of electroreduction of CO2 to synthesis gas using bimetallic catalysts Lee, Ji Hoon; Kattel, Shyam; Jiang, Zhao Nature Communications, Vol. 10, Issue 1 https://doi.org/10.1038/s41467-019-11352-0	journal	August 2019
Silver Single‐Atom Catalyst for Efficient Electrochemical CO ₂ Reduction Synthesized from Thermal Transformation and Surface Reconstruction Zhang, Ningqiang; Zhang, Xinxin; Tao, Lei Angewandte Chemie International Edition, Vol. 60, Issue 11 https://doi.org/10.1002/anie.202014718	journal	January 2021
Atomically dispersed Ni(i) as the active site for electrochemical CO2 reduction Yang, Hong Bin; Hung, Sung-Fu; Liu, Song Nature Energy, Vol. 3, Issue 2 https://doi.org/10.1038/s41560-017-0078-8	journal	February 2018
Isolated Ni single atoms in graphene nanosheets for high-performance CO ₂ reduction Jiang, Kun; Siahrostami, Samira; Zheng, Tingting Energy & Environmental Science, Vol. 11, Issue 4 https://doi.org/10.1039/C7EE03245E	journal	January 2018
Accelerating CO ₂ Electroreduction to CO Over Pd Single‐Atom Catalyst He, Qun; Lee, Ji Hoon; Liu, Daobin Advanced Functional Materials, Vol. 30, Issue 17 https://doi.org/10.1002/adfm.202000407	journal	March 2020
Electrochemical Conversion of CO ₂ to Syngas with Controllable CO/H ₂ Ratios over Co and Ni Single-Atom Catalysts He, Qun; Liu, Daobin; Lee, Ji Hoon Angewandte Chemie International Edition, Vol. 59, Issue 8 https://doi.org/10.1002/anie.201912719	journal	January 2020
Unveiling Active Sites of CO ₂ Reduction on Nitrogen-Coordinated and Atomically Dispersed Iron and Cobalt Catalysts Pan, Fuping; Zhang, Hanguang; Liu, Kexi ACS Catalysis, Vol. 8, Issue 4 https://doi.org/10.1021/acscatal.8b00398	journal	March 2018
Understanding activity and selectivity of metal-nitrogen-doped carbon catalysts for electrochemical reduction of CO2 Ju, Wen; Bagger, Alexander; Hao, Guang-Ping Nature Communications, Vol. 8, Issue 1 https://doi.org/10.1038/s41467-017-01035-z	journal	October 2017
Regulation of Coordination Number over Single Co Sites: Triggering the Efficient Electroreduction of CO ₂ Wang, Xiaoqian; Chen, Zhao; Zhao, Xuyan Angewandte Chemie, Vol. 130, Issue 7 https://doi.org/10.1002/ange.201712451	journal	January 2018
Regulating the coordination environment of Co single atoms for achieving efficient electrocatalytic activity in CO2 reduction Geng, Zhigang; Cao, Yuanjie; Chen, Wenxing Applied Catalysis B: Environmental, Vol. 240 https://doi.org/10.1016/j.apcatb.2018.08.075	journal	January 2019
Fe Isolated Single Atoms on S, N Codoped Carbon by Copolymer Pyrolysis Strategy for Highly Efficient Oxygen Reduction Reaction Li, Qiheng; Chen, Wenxing; Xiao, Hai Advanced Materials, Vol. 30, Issue 25 https://doi.org/10.1002/adma.201800588	journal	May 2018
Nanosheet Supported Single-Metal Atom Bifunctional Catalyst for Overall Water Splitting Ling, Chongyi; Shi, Li; Ouyang, Yixin Nano Letters, Vol. 17, Issue 8 https://doi.org/10.1021/acs.nanolett.7b02518	journal	July 2017
Structure of the catalytic sites in Fe/N/C-catalysts for O2-reduction in PEM fuel cells Kramm, Ulrike I.; Herranz, Juan; Larouche, Nicholas Physical Chemistry Chemical Physics, Vol. 14, Issue 33 https://doi.org/10.1039/c2cp41957b	journal	January 2012
Versatile Strategy for Tuning ORR Activity of a Single Fe-N ₄ Site by Controlling Electron-Withdrawing/Donating Properties of a Carbon Plane Mun, Yeongdong; Lee, Seonggyu; Kim, Kyeounghak Journal of the American Chemical Society, Vol. 141, Issue 15 https://doi.org/10.1021/jacs.8b13543	journal	March 2019
Atomic structure of nickel phthalocyanine probed by X-ray absorption spectroscopy and density functional simulations Avakyan, L. A.; Manukyan, A. S.; Mirzakhanyan, A. A. Optics and Spectroscopy, Vol. 114, Issue 3 https://doi.org/10.1134/S0030400X1303003X	journal	March 2013
Local environment of metal ions in phthalocyanines: K-edge X-ray absorption spectra Rossi, G.; d'Acapito, F.; Amidani, L. Physical Chemistry Chemical Physics, Vol. 18, Issue 34 https://doi.org/10.1039/C6CP04022E	journal	January 2016
Crystal structure of β-copper phthalocyanine Brown, C. J. J. Chem. Soc. A, Vol. 0, Issue 0 https://doi.org/10.1039/J19680002488	journal	January 1968
On the Polymorphic Modifications of Phthalocyanines Assour, Jacques M. The Journal of Physical Chemistry, Vol. 69, Issue 7 https://doi.org/10.1021/j100891a026	journal	July 1965
Redetermination of the crystal structure of α-copper phthalocyanine grown on KCl Hoshino, Akitaka; Takenaka, Yoshiko; Miyaji, Hideki Acta Crystallographica Section B Structural Science, Vol. 59, Issue 3 https://doi.org/10.1107/S010876810300942X	journal	May 2003
Effects of substrate temperature on copper(II) phthalocyanine thin films E., Jungyoon; Kim, Sunmi; Lim, Eunju Applied Surface Science, Vol. 205, Issue 1-4 https://doi.org/10.1016/S0169-4332(02)01115-7	journal	January 2003
Nano structure formation in vacuum evaporated zinc phthalocyanine (ZnPc) thin films Senthilarasu, S.; Hahn, Y. B.; Lee, Soo-Hyoung Journal of Materials Science: Materials in Electronics, Vol. 19, Issue 5 https://doi.org/10.1007/s10854-007-9368-4	journal	August 2007
Experimental and theoretical studies of the structure and optical properties of nickel phthalocyanine nanowires Wang, Xiaoyan; Wu, Wei; Ju, Haidong Materials Research Express, Vol. 3, Issue 12 https://doi.org/10.1088/2053-1591/3/12/125002	journal	December 2016
Selective nucleation of iron phthalocyanine crystals on micro-structured copper iodide Rochford, Luke A.; Ramadan, Alexandra J.; Heutz, Sandrine Phys. Chem. Chem. Phys., Vol. 16, Issue 46 https://doi.org/10.1039/C4CP04217D	journal	October 2014
Metal phthalocyanines: thin-film formation, microstructure, and physical properties Cranston, Rosemary R.; Lessard, Benoît H. RSC Advances, Vol. 11, Issue 35 https://doi.org/10.1039/D1RA03853B	journal	January 2021
Electrocatalytic reduction of CO2 to CO over iron phthalocyanine-modified graphene nanocomposites Li, Xiaoxin; Chai, Guoliang; Xu, Xiao Carbon, Vol. 167 https://doi.org/10.1016/j.carbon.2020.06.036	journal	October 2020
Graphdiyne/Graphene Heterostructure: A Universal 2D Scaffold Anchoring Monodispersed Transition-Metal Phthalocyanines for Selective and Durable CO₂ Electroreduction Gu, Huoliang; Zhong, Lixiang; Shi, Guoshuai Journal of the American Chemical Society, Vol. 143, Issue 23 https://doi.org/10.1021/jacs.1c02326	journal	June 2021
Improving the lifetime of hybrid CoPc@MWCNT catalysts for selective electrochemical CO2-to-CO conversion Sun, Changzhe; Hou, Yuhui; Lüdi, Nicola Journal of Catalysis, Vol. 407 https://doi.org/10.1016/j.jcat.2022.02.001	journal	March 2022
Identification of dual-active sites in cobalt phthalocyanine for electrochemical carbon dioxide reduction Xia, Yujian; Kashtanov, Stepan; Yu, Pengfei Nano Energy, Vol. 67 https://doi.org/10.1016/j.nanoen.2019.104163	journal	January 2020
Highly selective and active CO2 reduction electrocatalysts based on cobalt phthalocyanine/carbon nanotube hybrid structures Zhang, Xing; Wu, Zishan; Zhang, Xiao Nature Communications, Vol. 8, Issue 1 https://doi.org/10.1038/ncomms14675	journal	March 2017
Boosting Defective Carbon by Anchoring Well-Defined Atomically Dispersed Ni–N₄ Sites for Electrocatalytic CO₂ Reduction Yang, Xiao; Cheng, Jun; Xuan, Xiaoxu ACS Sustainable Chemistry & Engineering, Vol. 8, Issue 28 https://doi.org/10.1021/acssuschemeng.0c03222	journal	June 2020
Thermal Transformation of Molecular Ni ²⁺ –N ₄ Sites for Enhanced CO ₂ Electroreduction Activity Sa, Young Jin; Jung, Hyejin; Shin, Dongyup ACS Catalysis, Vol. 10, Issue 19 https://doi.org/10.1021/acscatal.0c02325	journal	August 2020
Crystalline Copper(II) Phthalocyanine Catalysts for Electrochemical Reduction of Carbon Dioxide in Aqueous Media Kusama, Shoko; Saito, Teruhiko; Hashiba, Hiroshi ACS Catalysis, Vol. 7, Issue 12 https://doi.org/10.1021/acscatal.7b02220	journal	November 2017
Density Functional Theory Study of Ni–N _x /C Electrocatalyst for Oxygen Reduction in Alkaline and Acidic Media Kattel, Shyam; Atanassov, Plamen; Kiefer, Boris The Journal of Physical Chemistry C, Vol. 116, Issue 33 https://doi.org/10.1021/jp3044708	journal	August 2012
Computational and experimental evidence for a new TM–N ₃ /C moiety family in non-PGM electrocatalysts Kabir, Sadia; Artyushkova, Kateryna; Kiefer, Boris Physical Chemistry Chemical Physics, Vol. 17, Issue 27 https://doi.org/10.1039/C5CP02230D	journal	January 2015
Catalytic activity of Co–N _x /C electrocatalysts for oxygen reduction reaction: a density functional theory study Kattel, Shyam; Atanassov, Plamen; Kiefer, Boris Phys. Chem. Chem. Phys., Vol. 15, Issue 1 https://doi.org/10.1039/C2CP42609A	journal	January 2013
Novel thin/tunable gas diffusion electrodes with ultra-low catalyst loading for hydrogen evolution reactions in proton exchange membrane electrolyzer cells Kang, Zhenye; Yang, Gaoqiang; Mo, Jingke Nano Energy, Vol. 47 https://doi.org/10.1016/j.nanoen.2018.03.015	journal	May 2018
Discovery of true electrochemical reactions for ultrahigh catalyst mass activity in water splitting Mo, Jingke; Kang, Zhenye; Retterer, Scott T. Science Advances, Vol. 2, Issue 11 https://doi.org/10.1126/sciadv.1600690	journal	November 2016
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set Kresse, G.; Furthmüller, J. Computational Materials Science, Vol. 6, Issue 1, p. 15-50 https://doi.org/10.1016/0927-0256(96)00008-0	journal	July 1996
Projector augmented-wave method Blöchl, P. E. Physical Review B, Vol. 50, Issue 24, p. 17953-17979 https://doi.org/10.1103/PhysRevB.50.17953	journal	December 1994
Inhomogeneous Electron Gas Hohenberg, P.; Kohn, W. Physical Review, Vol. 136, Issue 3B, p. B864-B871 https://doi.org/10.1103/PhysRev.136.B864	journal	November 1964
Self-Consistent Equations Including Exchange and Correlation Effects Kohn, W.; Sham, L. J. Physical Review, Vol. 140, Issue 4A, p. A1133-A1138 https://doi.org/10.1103/PhysRev.140.A1133	journal	November 1965
Ab initio molecular dynamics for open-shell transition metals Kresse, G.; Hafner, J. Physical Review B, Vol. 48, Issue 17 https://doi.org/10.1103/PhysRevB.48.13115	journal	November 1993
From ultrasoft pseudopotentials to the projector augmented-wave method Kresse, G.; Joubert, D. Physical Review B, Vol. 59, Issue 3, p. 1758-1775 https://doi.org/10.1103/PhysRevB.59.1758	journal	January 1999
Accurate and simple analytic representation of the electron-gas correlation energy Perdew, John P.; Wang, Yue Physical Review B, Vol. 45, Issue 23, p. 13244-13249 https://doi.org/10.1103/PhysRevB.45.13244	journal	June 1992
Origin of the Overpotential for Oxygen Reduction at a Fuel-Cell Cathode Nørskov, J. K.; Rossmeisl, J.; Logadottir, A. The Journal of Physical Chemistry B, Vol. 108, Issue 46 https://doi.org/10.1021/jp047349j	journal	November 2004
Electrochemical Reduction of CO 2 on Metal-Nitrogen-Doped Carbon Catalysts Varela, Ana Sofia; Ju, Wen; Bagger, Alexander ACS Catalysis, Vol. 9, Issue 8 https://doi.org/10.1021/acscatal.9b01405	journal	June 2019
Transition-Metal Single Atoms in a Graphene Shell as Active Centers for Highly Efficient Artificial Photosynthesis Jiang, Kun; Siahrostami, Samira; Akey, Austin J. Chem, Vol. 3, Issue 6 https://doi.org/10.1016/j.chempr.2017.09.014	journal	December 2017
CO ₂ Electroreduction Performance of Transition Metal Dimers Supported on Graphene: A Theoretical Study Li, Yawei; Su, Haibin; Chan, Siew Hwa ACS Catalysis, Vol. 5, Issue 11 https://doi.org/10.1021/acscatal.5b01165	journal	October 2015
Single-atom catalysts for CO ₂ electroreduction with significant activity and selectivity improvements Back, Seoin; Lim, Juhyung; Kim, Na-Young Chemical Science, Vol. 8, Issue 2 https://doi.org/10.1039/C6SC03911A	journal	January 2017
Coordinatively unsaturated nickel–nitrogen sites towards selective and high-rate CO ₂ electroreduction Yan, Chengcheng; Li, Haobo; Ye, Yifan Energy & Environmental Science, Vol. 11, Issue 5 https://doi.org/10.1039/C8EE00133B	journal	January 2018
Ionic Exchange of Metal–Organic Frameworks to Access Single Nickel Sites for Efficient Electroreduction of CO ₂ Zhao, Changming; Dai, Xinyao; Yao, Tao Journal of the American Chemical Society, Vol. 139, Issue 24 https://doi.org/10.1021/jacs.7b02736	journal	June 2017
GSAS-II : the genesis of a modern open-source all purpose crystallography software package Toby, Brian H.; Von Dreele, Robert B. Journal of Applied Crystallography, Vol. 46, Issue 2 https://doi.org/10.1107/S0021889813003531	journal	March 2013
Electrochemical reduction of CO ₂ to synthesis gas with controlled CO/H ₂ ratios Sheng, Wenchao; Kattel, Shyam; Yao, Siyu Energy & Environmental Science, Vol. 10, Issue 5 https://doi.org/10.1039/C7EE00071E	journal	January 2017
Understanding the Role of Functional Groups in Polymeric Binder for Electrochemical Carbon Dioxide Reduction on Gold Nanoparticles Lee, Ji Hoon; Kattel, Shyam; Xie, Zhenhua Advanced Functional Materials, Vol. 28, Issue 45 https://doi.org/10.1002/adfm.201804762	journal	September 2018

Similar Records

Metal-Coordinated Phthalocyanines as Platform Molecules for Understanding Isolated Metal Sites in the Electrochemical Reduction of CO₂

Journal Article · 2022 · Journal of the American Chemical Society · OSTI ID:1900932

Chang, Qiaowan; Liu, Yumeng; Lee, Ju-Hyeon; +6 more

Identifying site-dependent effects of an extra Co atom on electronic states of single Co-phthalocyanine molecule

Journal Article · 2015 · Journal of Chemical Physics · OSTI ID:1900932

Li, Jingcheng; Wang, Yu; Li, Bin; +2 more

ISOLATION OF RADIOISOTOPES OF Zn, Ga, In, V, Mo, Pd, Os, Ir, AND Pt IN ALMOST CARRIER-FREE STATE BY THE (n,$gamma$) RECOIL PROCESS FROM PHTHALOCYANINE METAL COMPLEXES

Journal Article · 1952 · Zeitschrift fuer Naturforschung (West Germany) Divided into Z. Nautrforsch., A, and Z. Naturforsch., B: Anorg. Chem., Org. Chem., Biochem., Biophys., · OSTI ID:1900932

Herr, W

Title: Metal-Coordinated Phthalocyanines as Platform Molecules for Understanding Isolated Metal Sites in th

Citation Formats

References (61)

Similar Records

Related Subjects