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Catalysis

Working Paper

Ultra-Low Amounts of Palladium (0.005-0.05 Wt% Pd) Supported on Titania: Remarkable Low-Temperature Activity for NO Reduction with CO and Structure-Function Property Relationships in Methane Oxidation

Konstantin Khivantsev, Libor Kovarik, Nicholas R. Jaegers, János Szanyi, Yong Wang

Version 1 posted 29 December 2020

827

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3

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Catalysis

Working Paper

Ab Initio Molecular Dynamics Reveals New Active Sites in Atomically Dispersed Pt1/TiO2 Catalysts

Nicholas Humphrey, Selin Bac, Shaama Mallikarjun Sharada

Version 1 posted 17 April 2020

419

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Catalysis

Working Paper

Identification of the catalytically dominant iron environment in iron- and nitrogen-doped carbon catalysts for the oxygen reduction reaction

Lingmei Ni, Charlotte Gallenkamp, Stephan Wagner, Eckhard Bill, Vera Krewald, Ulrike I. Kramm

Version 1 posted 10 May 2022

393

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Catalysis

Working Paper

Investigation of the structure of atomically dispersed NiNx sites in Ni, N-doped carbon electrocatalysts by 61Ni Mössbauer Spectroscopy and Simulations

David M. Koshy, Md Delowar Hossain, Ryo MASUDA, Yoshitaka Yoda, Leland B. Gee, Kabir Abiose, Huaxin Gong, Ryan C. Davis, Makoto Seto, Alessandro Gallo, Christopher Hahn, Michal Bajdich, Zhenan Bao, Thomas Jaramillo

Version 1 posted 25 April 2022

643

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Catalysis

Working Paper

FeNC Oxygen Reduction Electrocatalyst with High Utilisation Penta-coordinated sites

Jesus Barrio, Angus Pedersen, Saurav Ch. Sarma, Alexander Bagger, Mengjun Gong, Silvia Favero, Chang-Xin Zhao, Ricardo Garcia-Serres, Alain You Li, Qiang Zhang, Frédéric Jaouen, Frédéric Maillard, Anthony Kucernak, Ifan E. L. Stephens, Magda Titirici

Version 1 posted 02 December 2022

761

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Catalysis

Working Paper

Computational Discovery of Codoped Single-Atom Catalysts for Methane-to-Methanol Conversion

Haojun Jia, Chenru Duan, Ilia Kevlishvili, Aditya Nandy, Mingjie Liu, Heather Kulik

Version 1 posted 17 November 2023

311

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Catalysis

Working Paper

Electron Tug Effect in Ni Single Atoms for Carbon Dioxide Electroreduction over a Wide Potential Range

Xu Han, Ting Zhang, Martí Biset-Peiró, Chaoyue Zhang, Ke Xiao, Pengfei Cao, Marc Heggen, Weiqiang Tang, Miquel Vega-Paredes, Alba Garzón-Manjón, Lirong Zheng, Rafal E. Dunin-Borkowski, Andreu Cabot, Kim Daasbjerg, Joan R. Morante, Jordi Arbiol

Version 1 posted 08 December 2023

217

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Catalysis

Review

Challenges and opportunities for exploiting the role of zeolite confinements for the selective hydrogenation of acetylene

Jenna Vito, Manish Shetty

Version 1 posted 21 July 2023

170

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Catalysis

Working Paper

Bridging Oxidase- and Oxygen Reduction Electro-Catalysis by Model Single-Atom Catalysts

Xiangyu Lu, Shanshan Gao, Han Lin, Han Tian, Deliang Xu, Jianlin Shi, lu xiangyu

Version 1 posted 01 June 2021

443

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Theoretical and Computational Chemistry

Working Paper

Active learning accelerated exploration of single-atom local environments in multimetallic systems for oxygen electrocatalysis

Hoje Chun, Jaclyn Lunger, Jeung Ku Kang, Rafael Gómez-Bombarelli, Byungchan Han

Version 1 posted 14 March 2024

258

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13 results in Single Atom Catalysts in Keywords: Single Atom Catalysts

Ultra-Low Amounts of Palladium (0.005-0.05 Wt% Pd) Supported on Titania: Remarkable Low-Temperature Activity for NO Reduction with CO and Structure-Function Property Relationships in Methane Oxidation

Ab Initio Molecular Dynamics Reveals New Active Sites in Atomically Dispersed Pt1/TiO2 Catalysts

Identification of the catalytically dominant iron environment in iron- and nitrogen-doped carbon catalysts for the oxygen reduction reaction

Investigation of the structure of atomically dispersed NiNx sites in Ni, N-doped carbon electrocatalysts by 61Ni Mössbauer Spectroscopy and Simulations

FeNC Oxygen Reduction Electrocatalyst with High Utilisation Penta-coordinated sites

Computational Discovery of Codoped Single-Atom Catalysts for Methane-to-Methanol Conversion

Electron Tug Effect in Ni Single Atoms for Carbon Dioxide Electroreduction over a Wide Potential Range

Challenges and opportunities for exploiting the role of zeolite confinements for the selective hydrogenation of acetylene

Bridging Oxidase- and Oxygen Reduction Electro-Catalysis by Model Single-Atom Catalysts

Active learning accelerated exploration of single-atom local environments in multimetallic systems for oxygen electrocatalysis

13 results in Keywords: Single Atom Catalysts