Elucidating Local Structure and Positional Effect of Dopants in Colloidal Transition Metal Dichalcogenide Nanosheets for Catalytic Hydrogenolysis

Farrell, Steven L.; Khwaja, Mersal; Paredes, Ingrid J.; Oyuela, Christopher; Clarke, William; Osinski, Noah; Ebrahim, Amani M.; Paul, Shlok J.; Kannan, Haripriya; Mo̷lnås, Håvard; Ma, Lu; Ehrlich, Steven N.; Liu, Xiangyu; Riedo, Elisa; Rangarajan, Srinivas; Frenkel, Anatoly I.; Sahu, Ayaskanta

doi:10.1021/acs.jpcc.3c07408

Title: Elucidating Local Structure and Positional Effect of Dopants in Colloidal Transition Metal Dichalcogenide Nanosheets for Catalytic Hydrogenolysis

Journal Article · 05 March 2024 · Journal of Physical Chemistry. C

DOI: https://doi.org/10.1021/acs.jpcc.3c07408 · OSTI ID:2319053

Farrell, Steven L. ^[1]; Khwaja, Mersal ^[1]; Paredes, Ingrid J. ^[1]; Oyuela, Christopher ^[1]; Clarke, William ^[1]; Osinski, Noah ^[1]; Ebrahim, Amani M. ^[2]; Paul, Shlok J. ^[1];

^[1]; Mo̷lnås, Håvard ^[1]; Ma, Lu ^[3]; Ehrlich, Steven N. ^[3];

^[1]; Riedo, Elisa ^[1];

^[4];

^[5];

^[1]

Department of Chemical and Biomolecular Engineering, New York University, Brooklyn, New York 11201, United States
Department of Materials Science and Chemical Engineering, Stony Brook University, Stony Brook, New York 11794, United States
National Synchrotron Light Source II, Brookhaven National Laboratory, Upton, New York 11973, United States
Department of Chemical and Biomolecular Engineering, Lehigh University, Bethlehem, Pennsylvania 18015, United States
Department of Materials Science and Chemical Engineering, Stony Brook University, Stony Brook, New York 11794, United States, Chemistry Division, Brookhaven National Laboratory, Upton, New York 11973, United States

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Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Science (SC), Office of Workforce Development for Teachers & Scientists (WDTS)

Grant/Contract Number:: SC0012573; SC0014664

OSTI ID:: 2319053

Alternate ID(s):: OSTI ID: 2326159; OSTI ID: 2331229

Journal Information:: Journal of Physical Chemistry. C, Journal Name: Journal of Physical Chemistry. C Journal Issue: 11 Vol. 128; ISSN 1932-7447

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

References (67)

Speciation of Nanocatalysts Using X-ray Absorption Spectroscopy Assisted by Machine Learning Routh, Prahlad K.; Marcella, Nicholas; Frenkel, Anatoly I. The Journal of Physical Chemistry C, Vol. 127, Issue 12 https://doi.org/10.1021/acs.jpcc.3c00571	journal	March 2023
Activity of CoMo/γ-Al2O3 as a catalyst in hydrodesulfurization: effects of Co/Mo ratio and drying condition Al-Zeghayer, Y. S.; Sunderland, P.; Al-Masry, W. Applied Catalysis A: General, Vol. 282, Issue 1-2 https://doi.org/10.1016/j.apcata.2004.12.021	journal	March 2005
From atom-resolved scanning tunneling microscopy (STM) studies to the design of new catalysts Lauritsen, Jeppe V.; Vang, Ronnie T.; Besenbacher, Flemming Catalysis Today, Vol. 111, Issue 1-2 https://doi.org/10.1016/j.cattod.2005.10.015	journal	January 2006
Continuous Cauchy wavelet transform analyses of EXAFS spectra: A qualitative approach Muñoz, Manuel; Argoul, Pierre; Farges, François American Mineralogist, Vol. 88, Issue 4 https://doi.org/10.2138/am-2003-0423	journal	April 2003
Enhancing Catalytic Activity of MoS ₂ Basal Plane S-Vacancy by Co Cluster Addition Park, Sangwook; Park, Joonsuk; Abroshan, Hadi ACS Energy Letters, Vol. 3, Issue 11 https://doi.org/10.1021/acsenergylett.8b01567	journal	October 2018
Crowded supported metal atoms on catalytically active supports may compromise intrinsic activity: A case study of dual-site Pt/α-MoC catalysts Chukwu, Ewa; Molina, Lindsay; Rapp, Conner Applied Catalysis B: Environmental, Vol. 329 https://doi.org/10.1016/j.apcatb.2023.122532	journal	July 2023
Hybrid phase 1T/2H-MoS ₂ with controllable 1T concentration and its promoted hydrogen evolution reaction Zhang, Yuxiao; Kuwahara, Yasutaka; Mori, Kohsuke Nanoscale, Vol. 12, Issue 22 https://doi.org/10.1039/D0NR02525A	journal	January 2020
Electron-Doped 1T-MoS ₂ via Interface Engineering for Enhanced Electrocatalytic Hydrogen Evolution Liu, Qin; Fang, Qi; Chu, Wangsheng Chemistry of Materials, Vol. 29, Issue 11 https://doi.org/10.1021/acs.chemmater.7b00446	journal	May 2017
Optimal promoter edge decoration of CoMoS catalysts: A combined theoretical and experimental study Gandubert, A. D.; Krebs, E.; Legens, C. Catalysis Today, Vol. 130, Issue 1 https://doi.org/10.1016/j.cattod.2007.06.041	journal	January 2008
n-Type doping of a solution processed p-type semiconductor using isoelectronic surface dopants for homojunction fabrication Mølnås, Håvard; Russ, Boris; Farrell, Steven L. Applied Surface Science, Vol. 590 https://doi.org/10.1016/j.apsusc.2022.153089	journal	July 2022
Enabling Colloidal Synthesis of Edge-Oriented MoS ₂ with Expanded Interlayer Spacing for Enhanced HER Catalysis Sun, Yugang; Alimohammadi, Farbod; Zhang, Dongtang Nano Letters, Vol. 17, Issue 3 https://doi.org/10.1021/acs.nanolett.6b05346	journal	February 2017
Periodic trends in hydrodesulfurization: in support of the Sabatier principle Chianelli, R. R.; Berhault, G.; Raybaud, P. Applied Catalysis A: General, Vol. 227, Issue 1-2 https://doi.org/10.1016/S0926-860X(01)00924-3	journal	March 2002
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
Shape and Edge Sites Modifications of MoS2 Catalytic Nanoparticles Induced by Working Conditions: A Theoretical Study Schweiger, Hannes; Raybaud, Pascal; Kresse, Georg Journal of Catalysis, Vol. 207, Issue 1 https://doi.org/10.1006/jcat.2002.3508	journal	April 2002
Commentary: The Materials Project: A materials genome approach to accelerating materials innovation Jain, Anubhav; Ong, Shyue Ping; Hautier, Geoffroy APL Materials, Vol. 1, Issue 1 https://doi.org/10.1063/1.4812323	journal	July 2013
Controlled Doping of MS2 (M=W, Mo) Nanotubes and Fullerene-like Nanoparticles Yadgarov, Lena; Rosentsveig, Rita; Leitus, Gregory Angewandte Chemie International Edition, Vol. 51, Issue 5 https://doi.org/10.1002/anie.201105324	journal	December 2011
The Underlying Molecular Mechanism of Fence Engineering to Break the Activity–Stability Trade‐Off in Catalysts for the Hydrogen Evolution Reaction Huang, Jingbin; Hao, Mengyao; Mao, Baoguang Angewandte Chemie International Edition, Vol. 61, Issue 10 https://doi.org/10.1002/anie.202114899	journal	January 2022
Visualizing hydrogen-induced reshaping and edge activation in MoS2 and Co-promoted MoS2 catalyst clusters Grønborg, Signe S.; Salazar, Norberto; Bruix, Albert Nature Communications, Vol. 9, Issue 1 https://doi.org/10.1038/s41467-018-04615-9	journal	June 2018
Thiophene hydrodesulfurization on MoS2; Theoretical aspects Zonnevylle, Marjanne C.; Hoffmann, Roald; Harris, Suzanne Surface Science, Vol. 199, Issue 1-2 https://doi.org/10.1016/0039-6028(88)90415-3	journal	January 1988
Elucidating the active phases of CoOx films on Au(111) in the CO oxidation reaction Chen, Hao; Falling, Lorenz J.; Kersell, Heath Nature Communications, Vol. 14, Issue 1 https://doi.org/10.1038/s41467-023-42301-7	journal	October 2023
Doping of MoS₂ by “Cu” and “V”: An Efficient Strategy for the Enhancement of Hydrogen Evolution Activity Sharma, Mamta Devi; Mahala, Chavi; Modak, Brindaban Langmuir, Vol. 37, Issue 16 https://doi.org/10.1021/acs.langmuir.1c00036	journal	April 2021
Few-layer Co-doped MoS2 nanosheets with rich active sites as an efficient cocatalyst for photocatalytic H2 production over CdS Li, Jia; Peng, Yang; Qian, Xianhao Applied Surface Science, Vol. 452 https://doi.org/10.1016/j.apsusc.2018.05.021	journal	September 2018
CoMo/Al2O3 hydrotreating catalysts of diesel fuel with improved hydrodenitrogenation activity Klimov, O. V.; Nadeina, K. A.; Vatutina, Yu. V. Catalysis Today, Vol. 307 https://doi.org/10.1016/j.cattod.2017.02.032	journal	June 2018
Atomically engineering activation sites onto metallic 1T-MoS2 catalysts for enhanced electrochemical hydrogen evolution Huang, Yichao; Sun, Yuanhui; Zheng, Xueli Nature Communications, Vol. 10, Issue 1 https://doi.org/10.1038/s41467-019-08877-9	journal	February 2019
The effect of Co-promotion on MoS2 catalysts for hydrodesulfurization of thiophene: A density functional study Moses, Poul Georg; Hinnemann, Berit; Topsøe, Henrik Journal of Catalysis, Vol. 268, Issue 2 https://doi.org/10.1016/j.jcat.2009.09.016	journal	December 2009
Short range order in bimetallic nanoalloys: An extended X-ray absorption fine structure study Frenkel, Anatoly I.; Wang, Qi; Sanchez, Sergio I. The Journal of Chemical Physics, Vol. 138, Issue 6 https://doi.org/10.1063/1.4790509	journal	February 2013
Anchoring Sites Engineering in Single‐Atom Catalysts for Highly Efficient Electrochemical Energy Conversion Reactions Zhao, Yufei; Jiang, Wen‐Jie; Zhang, Jinqiang Advanced Materials, Vol. 33, Issue 41 https://doi.org/10.1002/adma.202102801	journal	September 2021
MoS2 monolayer catalyst doped with isolated Co atoms for the hydrodeoxygenation reaction Liu, Guoliang; Robertson, Alex W.; Li, Molly Meng-Jung Nature Chemistry, Vol. 9, Issue 8 https://doi.org/10.1038/nchem.2740	journal	March 2017
Recent advances in single metal atom-doped MoS2 as catalysts for hydrogen evolution reaction Liu, Rui; Fei, Hui-Long; Ye, Gong-Lan Tungsten, Vol. 2, Issue 2 https://doi.org/10.1007/s42864-020-00045-7	journal	June 2020
Tailoring the morphology of Co-doped MoS₂ for enhanced hydrodeoxygenation performance of p-cresol Song, Wenjing; Nie, Tianming; Lai, Weikun CrystEngComm, Vol. 20, Issue 29 https://doi.org/10.1039/C8CE00510A	journal	January 2018
Ruthenium Nanoparticles on Cobalt‐Doped 1T′ Phase MoS₂ Nanosheets for Overall Water Splitting Kwon, Ik Seon; Debela, Tekalign Terfa; Kwak, In Hye Small, Vol. 16, Issue 13 https://doi.org/10.1002/smll.202000081	journal	March 2020
Contributions of Phase, Sulfur Vacancies, and Edges to the Hydrogen Evolution Reaction Catalytic Activity of Porous Molybdenum Disulfide Nanosheets Yin, Ying; Han, Jiecai; Zhang, Yumin Journal of the American Chemical Society, Vol. 138, Issue 25 https://doi.org/10.1021/jacs.6b03714	journal	June 2016
NbS₂ Nanosheets with M/Se (M = Fe, Co, Ni) Codopants for Li⁺ and Na⁺ Storage Zhang, Jianli; Du, Chengfeng; Dai, Zhengfei ACS Nano, Vol. 11, Issue 10 https://doi.org/10.1021/acsnano.7b06133	journal	September 2017
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
Geometrical Characteristics of Regular Polyhedra: Application to EXAFS Studies of Nanoclusters Glasner, Dana; Frenkel, Anatoly I. X-RAY ABSORPTION FINE STRUCTURE - XAFS13: 13th International Conference, AIP Conference Proceedings https://doi.org/10.1063/1.2644651	conference	January 2007
Evidence of Octahedral Co–Mo–S Sites in Hydrodesulfurization Catalysts as Determined by Resonant Inelastic X-ray Scattering and X-ray Absorption Spectroscopy van Haandel, Lennart; Smolentsev, Grigory; van Bokhoven, Jeroen A. ACS Catalysis, Vol. 10, Issue 19 https://doi.org/10.1021/acscatal.0c03062	journal	August 2020
Fe nanodot-decorated MoS ₂ nanosheets on carbon cloth: an efficient and flexible electrode for ambient ammonia synthesis Zhao, Xinhui; Zhang, Xu; Xue, Zhimin Journal of Materials Chemistry A, Vol. 7, Issue 48 https://doi.org/10.1039/C9TA09264A	journal	January 2019
Surface Engineering of CoMoS Nanosulfide for Hydrodeoxygenation of Lignin-Derived Phenols to Arenes Song, Wenjing; Zhou, Shijie; Hu, Shihua ACS Catalysis, Vol. 9, Issue 1 https://doi.org/10.1021/acscatal.8b03402	journal	November 2018
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu Grimme, Stefan; Antony, Jens; Ehrlich, Stephan The Journal of Chemical Physics, Vol. 132, Issue 15 https://doi.org/10.1063/1.3382344	journal	April 2010
Strategies for Stabilizing Atomically Dispersed Metal Catalysts Qin, Ruixuan; Liu, Pengxin; Fu, Gang Small Methods, Vol. 2, Issue 1 https://doi.org/10.1002/smtd.201700286	journal	December 2017
Origin of Intraband Optical Transitions in Ag ₂ Se Colloidal Quantum Dots Scimeca, Michael R.; Mattu, Navkawal; Paredes, Ingrid J. The Journal of Physical Chemistry C, Vol. 125, Issue 31 https://doi.org/10.1021/acs.jpcc.1c05371	journal	July 2021
The kinetics of the hydrodesulfurization process - a review Vrinat, M. L. Applied Catalysis, Vol. 6, Issue 2 https://doi.org/10.1016/0166-9834(83)80260-7	journal	May 1983
Vacancy-Induced Ferromagnetism of MoS ₂ Nanosheets Cai, Liang; He, Jingfu; Liu, Qinghua Journal of the American Chemical Society, Vol. 137, Issue 7 https://doi.org/10.1021/ja5120908	journal	February 2015
Metal Core Bonding Motifs of Monodisperse Icosahedral Au ₁₃ and Larger Au Monolayer-Protected Clusters As Revealed by X-ray Absorption Spectroscopy and Transmission Electron Microscopy Menard, Laurent D.; Xu, Huiping; Gao, Shang-Peng The Journal of Physical Chemistry B, Vol. 110, Issue 30 https://doi.org/10.1021/jp060740f	journal	August 2006
Glucose‐Induced Synthesis of 1T‐MoS₂/C Hybrid for High‐Rate Lithium‐Ion Batteries Bai, Jin; Zhao, Bangchuan; Zhou, Jiafeng Small, Vol. 15, Issue 14 https://doi.org/10.1002/smll.201805420	journal	March 2019
Chemistry of one-dimensional metallic edge states in MoS ₂ nanoclusters Lauritsen, J. V.; Nyberg, M.; Vang, R. T. Nanotechnology, Vol. 14, Issue 3 https://doi.org/10.1088/0957-4484/14/3/306	journal	February 2003
Co-Doped MoS ₂ Nanosheets with the Dominant CoMoS Phase Coated on Carbon as an Excellent Electrocatalyst for Hydrogen Evolution Dai, Xiaoping; Du, Kangli; Li, Zhanzhao ACS Applied Materials & Interfaces, Vol. 7, Issue 49 https://doi.org/10.1021/acsami.5b08420	journal	December 2015
Advanced Hydrodesulfurization Catalysts: A Review of Design and Synthesis Tanimu, Abdulkadir; Alhooshani, Khalid Energy & Fuels, Vol. 33, Issue 4 https://doi.org/10.1021/acs.energyfuels.9b00354	journal	March 2019
Transition metal atom doping of the basal plane of MoS ₂ monolayer nanosheets for electrochemical hydrogen evolution Lau, Thomas H. M.; Lu, XiaoWei; Kulhavý, Jiří Chemical Science, Vol. 9, Issue 21 https://doi.org/10.1039/C8SC01114A	journal	January 2018
Quantitative Two-Dimensional (2D) Morphology–Selectivity Relationship of CoMoS Nanolayers: A Combined High-Resolution High-Angle Annular Dark Field Scanning Transmission Electron Microscopy (HR HAADF-STEM) and Density Functional Theory (DFT) Study Baubet, Bertrand; Girleanu, Maria; Gay, Anne-Sophie ACS Catalysis, Vol. 6, Issue 2 https://doi.org/10.1021/acscatal.5b02628	journal	January 2016
Applications of extended X-ray absorption fine-structure spectroscopy to studies of bimetallic nanoparticle catalysts Frenkel, Anatoly I. Chemical Society Reviews, Vol. 41, Issue 24 https://doi.org/10.1039/c2cs35174a	journal	January 2012
Doping of Fullerene‐Like MoS₂ Nanoparticles with Minute Amounts of Niobium Rosentsveig, Rita; Yadgarov, Lena; (Isai) Feldman, Yishay Particle & Particle Systems Characterization, Vol. 35, Issue 3 https://doi.org/10.1002/ppsc.201700165	journal	December 2017
Quantitative Analysis of the Oxidation State of Cobalt Oxides by Resonant Photoemission Spectroscopy Lykhach, Yaroslava; Piccinin, Simone; Skála, Tomáš The Journal of Physical Chemistry Letters, Vol. 10, Issue 20 https://doi.org/10.1021/acs.jpclett.9b02398	journal	September 2019
Catalytic Upgrading of Biomass Model Compounds: Novel Approaches and Lessons Learnt from Traditional Hydrodeoxygenation - a Review Jin, Wei; Pastor-Pérez, Laura; Shen, DeKui ChemCatChem, Vol. 11, Issue 3 https://doi.org/10.1002/cctc.201801722	journal	January 2019
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Kresse, G.; Furthmüller, J. Physical Review B, Vol. 54, Issue 16, p. 11169-11186 https://doi.org/10.1103/PhysRevB.54.11169	journal	October 1996
Cobalt Single‐Atom‐Intercalated Molybdenum Disulfide for Sulfide Oxidation with Exceptional Chemoselectivity Chen, Zhongxin; Liu, Cuibo; Liu, Jia Advanced Materials, Vol. 32, Issue 4 https://doi.org/10.1002/adma.201906437	journal	November 2019
Vertical 1T-MoS ₂ nanosheets with expanded interlayer spacing edged on a graphene frame for high rate lithium-ion batteries Xiang, Ting; Fang, Qi; Xie, Hui Nanoscale, Vol. 9, Issue 21 https://doi.org/10.1039/C7NR02003A	journal	January 2017
Unsupported MoS2-Based Catalysts for Bio-Oil Hydrodeoxygenation: Recent Advances and Future Perspectives Cao, Jing; Zhang, Youming; Wang, Li Frontiers in Chemistry, Vol. 10 https://doi.org/10.3389/fchem.2022.928806	journal	June 2022
One-step synthesis of ultrafine MoNiS and MoCoS monolayers as high-performance catalysts for hydrodesulfurization and hydrodenitrogenation Guo, Kun; Ding, Yi; Yu, Zhixin Applied Catalysis B: Environmental, Vol. 239 https://doi.org/10.1016/j.apcatb.2018.08.041	journal	December 2018
Role of MoS₂and WS₂in Hydrodesulfuritation Furimsky, E. Catalysis Reviews, Vol. 22, Issue 3 https://doi.org/10.1080/03602458008067538	journal	January 1980
Monolayer-Precision Synthesis of Molybdenum Sulfide Nanoparticles and Their Nanoscale Size Effects in the Hydrogen Evolution Reaction Seo, Bora; Jung, Gwan Yeong; Sa, Young Jin ACS Nano, Vol. 9, Issue 4 https://doi.org/10.1021/acsnano.5b00786	journal	February 2015
Solution-Processed Two-Dimensional MoS ₂ Nanosheets: Preparation, Hybridization, and Applications Zhang, Xiao; Lai, Zhuangchai; Tan, Chaoliang Angewandte Chemie International Edition, Vol. 55, Issue 31 https://doi.org/10.1002/anie.201509933	journal	June 2016
Generalized Gradient Approximation Made Simple Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868 https://doi.org/10.1103/PhysRevLett.77.3865	journal	October 1996
Gram-Scale Aqueous Synthesis of Stable Few-Layered 1T-MoS ₂ : Applications for Visible-Light-Driven Photocatalytic Hydrogen Evolution Liu, Qin; Li, Xiuling; He, Qun Small, Vol. 11, Issue 41 https://doi.org/10.1002/smll.201501822	journal	August 2015
Controlling the Co–S coordination environment in Co-doped WS₂ nanosheets for electrochemical oxygen reduction Hong, Wei; Meza, Erika; Li, Christina W. Journal of Materials Chemistry A, Vol. 9, Issue 35 https://doi.org/10.1039/D1TA02468J	journal	January 2021
Confined synthesis of MoS2 with rich co-doped edges for enhanced hydrogen evolution performance Li, Zongge; Li, Chenlei; Chen, Jianwen Journal of Energy Chemistry, Vol. 70 https://doi.org/10.1016/j.jechem.2022.01.001	journal	July 2022
Site-dependent reactivity of MoS2 nanoparticles in hydrodesulfurization of thiophene Salazar, Norberto; Rangarajan, Srinivas; Rodríguez-Fernández, Jonathan Nature Communications, Vol. 11, Issue 1 https://doi.org/10.1038/s41467-020-18183-4	journal	August 2020

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