Trends in electrocatalytic activity and stability of transition-metal nitrides

Mou, Hansen; Jeong, Jaehun Jason; Lamichhane, Bipin; Kattel, Shyam; Zhuang, Zechao; Lee, Ji Hoon; Chang, Qiaowan; Chen, Jingguang G.

doi:10.1016/j.checat.2023.100867

Title: Trends in electrocatalytic activity and stability of transition-metal nitrides

Journal Article · 03 January 2024 · Chem Catalysis

DOI: https://doi.org/10.1016/j.checat.2023.100867 · OSTI ID:2338115

Mou, Hansen ^[1]; Jeong, Jaehun Jason ^[1]; Lamichhane, Bipin ^[2]; Kattel, Shyam ^[2]; Zhuang, Zechao ^[1]; Lee, Ji Hoon ^[3]; Chang, Qiaowan ^[4];

^[5]

Columbia University, New York, NY (United States)
Florida A & M University, Tallahassee, FL (United States)
Kyungpook National University, Daegu (Korea, Republic of)
Columbia University, New York, NY (United States); Washington State University, Pullman, WA (United States)
Columbia University, New York, NY (United States); Brookhaven National Laboratory (BNL), Upton, NY (United States)

Transition metal nitrides (TMNs) are a class of electrocatalyst support materials similar to transition metal carbides (TMCs) with the advantage of avoiding the issues arising from graphitic carbon surface deposits during synthesis. Inspired by previous studies suggesting that TMCs could be used to reduce Pt loading for the hydrogen evolution reaction (HER), this work explored the feasibility of TMN-supported Pt and Au as HER electrocatalysts. Here this study established a volcano-like trend between electrochemical HER activity and hydrogen-binding energy (HBE) calculated from density functional theory. The Pt/TiN and Au/TiN materials were used to extend knowledge from well-characterized thin films to powder catalysts. In situ X-ray absorption spectroscopy (XAS) measurements provided additional characterization of the Pt/TiN and Au/TiN catalysts under HER conditions. Trends in the electrochemical stability of TMNs were also investigated over a wide range of potentials and pH values, which can be used to guide future studies for TMN-supported electrocatalysts.

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Research Organization:: Brookhaven National Laboratory (BNL), Upton, NY (United States)

Sponsoring Organization:: National Science Foundation (NSF); USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division (CSGB)

Grant/Contract Number:: SC0012704

OSTI ID:: 2338115

Report Number(s):: BNL--225509-2024-JAAM

Journal Information:: Chem Catalysis, Journal Name: Chem Catalysis Journal Issue: 2 Vol. 4; ISSN 2667-1093

Publisher:: Cell PressCopyright Statement

Country of Publication:: United States

Language:: English

References (63)

Elastic Scattering Corrections in AES and XPS. II. Estimating Attenuation Lengths and Conditions Required for their Valid Use in Overlayer/Substrate Experiments Cumpson, P. J.; Seah, M. P. Surface and Interface Analysis, Vol. 25, Issue 6 https://doi.org/10.1002/(SICI)1096-9918(199706)25:6<430::AID-SIA254>3.0.CO;2-7	journal	June 1997
The Significance of Properly Reporting Turnover Frequency in Electrocatalysis Research Anantharaj, Sengeni; Karthik, Pitchiah Esakki; Noda, Suguru Angewandte Chemie International Edition, Vol. 60, Issue 43 https://doi.org/10.1002/anie.202110352	journal	September 2021
Trends in Hydrogen Evolution Activity of Metal-Modified Molybdenum Carbides in Alkaline and Acid Electrolytes Zhang, Qian; Tackett, Brian M.; Wu, Qiyuan ChemElectroChem, Vol. 3, Issue 10 https://doi.org/10.1002/celc.201600171	journal	May 2016
Development strategies in transition metal carbide for hydrogen evolution reaction: A review Jun, Hyunwoo; Kim, Seongbeen; Lee, Jinwoo Korean Journal of Chemical Engineering, Vol. 37, Issue 8 https://doi.org/10.1007/s11814-020-0612-4	journal	August 2020
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
Electrochemical oxidation behavior of titanium nitride based electrocatalysts under PEM fuel cell conditions Avasarala, Bharat; Haldar, Pradeep Electrochimica Acta, Vol. 55, Issue 28 https://doi.org/10.1016/j.electacta.2010.08.035	journal	December 2010
A complete and self-consistent evaluation of XPS spectra of TiN Jaeger, Dominik; Patscheider, Jörg Journal of Electron Spectroscopy and Related Phenomena, Vol. 185, Issue 11 https://doi.org/10.1016/j.elspec.2012.10.011	journal	November 2012
On the stability of TiN-based electrocatalysts for fuel cell applications Avasarala, Bharat; Haldar, Pradeep International Journal of Hydrogen Energy, Vol. 36, Issue 6 https://doi.org/10.1016/j.ijhydene.2010.12.107	journal	March 2011
Effect of surface carbon on the hydrogen evolution reactivity of tungsten carbide (WC) and Pt-modified WC electrocatalysts Kimmel, Yannick C.; Esposito, Daniel V.; Birkmire, Robert W. International Journal of Hydrogen Energy, Vol. 37, Issue 4 https://doi.org/10.1016/j.ijhydene.2011.11.079	journal	February 2012
Electrocatalysis developments for hydrogen evolution reaction in alkaline solutions – A Review Safizadeh, Fariba; Ghali, Edward; Houlachi, Georges International Journal of Hydrogen Energy, Vol. 40, Issue 1 https://doi.org/10.1016/j.ijhydene.2014.10.109	journal	January 2015
Metal-modified niobium carbides as low-cost and impurity-resistant electrocatalysts for hydrogen evolution in acidic and alkaline electrolytes Tackett, Brian M.; Kimmel, Yannick C.; Chen, Jingguang G. International Journal of Hydrogen Energy, Vol. 41, Issue 14 https://doi.org/10.1016/j.ijhydene.2016.01.167	journal	April 2016
Electrocatalysis on metal carbide materials García, G.; Guillén-Villafuerte, O.; Rodríguez, J. L. International Journal of Hydrogen Energy, Vol. 41, Issue 43 https://doi.org/10.1016/j.ijhydene.2016.04.146	journal	November 2016
Self-terminated electrodeposition of platinum on titanium nitride for methanol oxidation reaction in acidic electrolyte Byun, Jinuk; Ahn, Sang Hyun; Kim, Jae Jeong International Journal of Hydrogen Energy, Vol. 45, Issue 16 https://doi.org/10.1016/j.ijhydene.2020.01.204	journal	March 2020
Current status, research trends, and challenges in water electrolysis science and technology Grigoriev, S. A.; Fateev, V. N.; Bessarabov, D. G. International Journal of Hydrogen Energy, Vol. 45, Issue 49 https://doi.org/10.1016/j.ijhydene.2020.03.109	journal	October 2020
Highly graphitic carbon shell on molybdenum carbide nanosheets by iron doping for stable hydrogen evolution Zhang, Sufen; Wang, Chenshuai; Qiu, Haiou International Journal of Hydrogen Energy, Vol. 45, Issue 28 https://doi.org/10.1016/j.ijhydene.2020.03.182	journal	May 2020
Exploring electrocatalytic stability and activity of unmodified and platinum-modified tungsten and niobium nitrides Denny, Steven R.; Tackett, Brian M.; Tian, Dong International Journal of Hydrogen Energy, Vol. 45, Issue 43 https://doi.org/10.1016/j.ijhydene.2020.06.186	journal	September 2020
Futuristic applications of hydrogen in energy, biorefining, aerospace, pharmaceuticals and metallurgy Okolie, Jude A.; Patra, Biswa R.; Mukherjee, Alivia International Journal of Hydrogen Energy, Vol. 46, Issue 13 https://doi.org/10.1016/j.ijhydene.2021.01.014	journal	February 2021
Building the green hydrogen market – Current state and outlook on green hydrogen demand and electrolyzer manufacturing Wappler, Mona; Unguder, Dilek; Lu, Xing International Journal of Hydrogen Energy, Vol. 47, Issue 79 https://doi.org/10.1016/j.ijhydene.2022.07.253	journal	September 2022
Synthesis of VN nanopowders by thermal nitridation of the precursor and their characterization Zhao, Zhiwei; Liu, Ying; Cao, Hong Journal of Alloys and Compounds, Vol. 464, Issue 1-2 https://doi.org/10.1016/j.jallcom.2007.09.110	journal	September 2008
Comparison of electrochemical stability of transition metal carbides (WC, W2C, Mo2C) over a wide pH range Weidman, Mark C.; Esposito, Daniel V.; Hsu, Yeh-Chun Journal of Power Sources, Vol. 202 https://doi.org/10.1016/j.jpowsour.2011.10.093	journal	March 2012
Growth, stress and hardness of reactively sputtered tungsten nitride thin films Wen, M.; Meng, Q. N.; Yu, W. X. Surface and Coatings Technology, Vol. 205, Issue 7 https://doi.org/10.1016/j.surfcoat.2010.08.082	journal	December 2010
Oxidation of vanadium nitride and titanium nitride coatings Glaser, A.; Surnev, S.; Netzer, F. P. Surface Science, Vol. 601, Issue 4 https://doi.org/10.1016/j.susc.2006.12.010	journal	February 2007
Atomic layer deposition of WNx thin films using a F-free tungsten metal-organic precursor and NH3 plasma as a Cu-diffusion barrier Kim, Jun Beom; Nandi, Dip K.; Kim, Tae Hyun Thin Solid Films, Vol. 685 https://doi.org/10.1016/j.tsf.2019.06.051	journal	September 2019
Trends and Descriptors of Metal-Modified Transition Metal Carbides for Hydrogen Evolution in Alkaline Electrolyte Zhang, Qian; Jiang, Zhao; Tackett, Brian M. ACS Catalysis, Vol. 9, Issue 3 https://doi.org/10.1021/acscatal.8b03990	journal	February 2019
Is There Anything Better than Pt for HER? Hansen, Johannes Novak; Prats, Hector; Toudahl, Karl Krøjer ACS Energy Letters, Vol. 6, Issue 4 https://doi.org/10.1021/acsenergylett.1c00246	journal	March 2021
Electrochemical Surface Area Quantification, CO₂ Reduction Performance, and Stability Studies of Unsupported Three-Dimensional Au Aerogels versus Carbon-Supported Au Nanoparticles Chauhan, Piyush; Hiekel, Karl; Diercks, Justus S. ACS Materials Au, Vol. 2, Issue 3 https://doi.org/10.1021/acsmaterialsau.1c00067	journal	February 2022
Carbide and Nitride Overlayers on Early Transition Metal Surfaces: Preparation, Characterization, and Reactivities Chen, Jingguang G. Chemical Reviews, Vol. 96, Issue 4 https://doi.org/10.1021/cr950232u	journal	January 1996
Trends in Electrochemical Stability of Transition Metal Carbides and Their Potential Use As Supports for Low-Cost Electrocatalysts Kimmel, Yannick C.; Xu, Xiaoge; Yu, Weiting ACS Catalysis, Vol. 4, Issue 5 https://doi.org/10.1021/cs500182h	journal	April 2014
Electrochemical Hydrogen Evolution: Sabatier’s Principle and the Volcano Plot Laursen, Anders B.; Varela, Ana Sofia; Dionigi, Fabio Journal of Chemical Education, Vol. 89, Issue 12 https://doi.org/10.1021/ed200818t	journal	September 2012
A New Class of Electrocatalysts for Hydrogen Production from Water Electrolysis: Metal Monolayers Supported on Low-Cost Transition Metal Carbides Esposito, Daniel V.; Hunt, Sean T.; Kimmel, Yannick C. Journal of the American Chemical Society, Vol. 134, Issue 6 https://doi.org/10.1021/ja208656v	journal	February 2012
Determination of the Platinum and Ruthenium Surface Areas in Platinum−Ruthenium Alloy Electrocatalysts by Underpotential Deposition of Copper. I. Unsupported Catalysts Green, Clare L.; Kucernak, Anthony The Journal of Physical Chemistry B, Vol. 106, Issue 5 https://doi.org/10.1021/jp0131931	journal	February 2002
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
TiC, TiCN, and TiN Supported Pt Electrocatalysts for CO and Methanol Oxidation in Acidic and Alkaline Media Roca-Ayats, M.; García, G.; Galante, J. L. The Journal of Physical Chemistry C, Vol. 117, Issue 40 https://doi.org/10.1021/jp407260v	journal	September 2013
Highly porous non-precious bimetallic electrocatalysts for efficient hydrogen evolution Lu, Qi; Hutchings, Gregory S.; Yu, Weiting Nature Communications, Vol. 6, Issue 1 https://doi.org/10.1038/ncomms7567	journal	March 2015
An efficient and pH-universal ruthenium-based catalyst for the hydrogen evolution reaction Mahmood, Javeed; Li, Feng; Jung, Sun-Min Nature Nanotechnology, Vol. 12, Issue 5 https://doi.org/10.1038/nnano.2016.304	journal	February 2017
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
Amorphization activated ruthenium-tellurium nanorods for efficient water splitting Wang, Juan; Han, Lili; Huang, Bolong Nature Communications, Vol. 10, Issue 1 https://doi.org/10.1038/s41467-019-13519-1	journal	December 2019
Insight on Tafel slopes from a microkinetic analysis of aqueous electrocatalysis for energy conversion Shinagawa, Tatsuya; Garcia-Esparza, Angel T.; Takanabe, Kazuhiro Scientific Reports, Vol. 5, Issue 1 https://doi.org/10.1038/srep13801	journal	September 2015
Low loadings of platinum on transition metal carbides for hydrogen oxidation and evolution reactions in alkaline electrolytes Wang, Lu; Mahoney, Elizabeth G.; Zhao, Shen Chemical Communications, Vol. 52, Issue 18 https://doi.org/10.1039/C5CC10439D	journal	January 2016
Heteronanowires of MoC–Mo ₂ C as efficient electrocatalysts for hydrogen evolution reaction Lin, Huanlei; Shi, Zhangping; He, Sina Chemical Science, Vol. 7, Issue 5 https://doi.org/10.1039/C6SC00077K	journal	January 2016
Highly active, stable oxidized platinum clusters as electrocatalysts for the hydrogen evolution reaction Cheng, Xing; Li, Yonghe; Zheng, Lirong Energy & Environmental Science, Vol. 10, Issue 11 https://doi.org/10.1039/C7EE02537H	journal	January 2017
Electrochemical N ₂ fixation to NH ₃ under ambient conditions: Mo ₂ N nanorod as a highly efficient and selective catalyst Ren, Xiang; Cui, Guanwei; Chen, Liang Chemical Communications, Vol. 54, Issue 61 https://doi.org/10.1039/C8CC03627F	journal	January 2018
The determination of the HOR/HER reaction mechanism from experimental kinetic data Prats, Hector; Chan, Karen Physical Chemistry Chemical Physics, Vol. 23, Issue 48 https://doi.org/10.1039/D1CP04134G	journal	January 2021
Pt- and Pd-modified transition metal nitride catalysts for the hydrogen evolution reaction Ologunagba, Damilola; Kattel, Shyam Physical Chemistry Chemical Physics, Vol. 24, Issue 20 https://doi.org/10.1039/D2CP00792D	journal	January 2022
Correlating the hydrogen evolution reaction activity in alkaline electrolytes with the hydrogen binding energy on monometallic surfaces Sheng, Wenchao; Myint, MyatNoeZin; Chen, Jingguang G. Energy & Environmental Science, Vol. 6, Issue 5 https://doi.org/10.1039/c3ee00045a	journal	January 2013
Synthesis of Mo2N nanolayer coated MoO2 hollow nanostructures as high-performance anode materials for lithium-ion batteries Liu, Jun; Tang, Shasha; Lu, Yakun Energy & Environmental Science, Vol. 6, Issue 9 https://doi.org/10.1039/c3ee41006d	journal	January 2013
Titanium nitride oxidation chemistry: An x‐ray photoelectron spectroscopy study Saha, Naresh C.; Tompkins, Harland G. Journal of Applied Physics, Vol. 72, Issue 7 https://doi.org/10.1063/1.351465	journal	October 1992
Photocatalytic and photoelectrochemical performance of Ta ₃ N ₅ microcolumn films fabricated using facile reactive sputtering Lin, Der-Hwa; Chang, Kao-Shuo Journal of Applied Physics, Vol. 120, Issue 7 https://doi.org/10.1063/1.4960806	journal	August 2016
Achieving complete electrooxidation of ethanol by single atomic Rh decoration of Pt nanocubes Chang, Qiaowan; Hong, Youngmin; Lee, Hye Jin Proceedings of the National Academy of Sciences, Vol. 119, Issue 11 https://doi.org/10.1073/pnas.2112109119	journal	March 2022
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
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
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
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
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
ATHENA , ARTEMIS , HEPHAESTUS : data analysis for X-ray absorption spectroscopy using IFEFFIT Ravel, B.; Newville, M. Journal of Synchrotron Radiation, Vol. 12, Issue 4 https://doi.org/10.1107/S0909049505012719	journal	June 2005
Nanocrystalline TiN Derived by a Two-Step Halide Approach for Electrochemical Capacitors Choi, Daiwon; Kumta, Prashant N. Journal of The Electrochemical Society, Vol. 153, Issue 12 https://doi.org/10.1149/1.2359692	journal	January 2006
Hydrogen Oxidation and Evolution Reaction Kinetics on Platinum: Acid vs Alkaline Electrolytes Sheng, Wenchao; Gasteiger, Hubert A.; Shao-Horn, Yang Journal of The Electrochemical Society, Vol. 157, Issue 11 https://doi.org/10.1149/1.3483106	journal	January 2010
Electrochemical Stability of Tungsten and Tungsten Monocarbide (WC) Over Wide pH and Potential Ranges Weidman, Mark C.; Esposito, Daniel V.; Hsu, Irene J. Journal of The Electrochemical Society, Vol. 157, Issue 12 https://doi.org/10.1149/1.3491341	journal	January 2010
Impact of Electrolyte on Pseudocapacitance and Stability of Porous Titanium Nitride (TiN) Monolithic Electrode Hasegawa, George; Kitada, Atsushi; Kawasaki, Shota Journal of The Electrochemical Society, Vol. 162, Issue 1 https://doi.org/10.1149/2.0491501jes	journal	November 2014
Correcting the Hydrogen Diffusion Limitation in Rotating Disk Electrode Measurements of Hydrogen Evolution Reaction Kinetics Zheng, Jie; Yan, Yushan; Xu, Bingjun Journal of The Electrochemical Society, Vol. 162, Issue 14 https://doi.org/10.1149/2.0501514jes	journal	January 2015
ATHENA and ARTEMIS Interactive Graphical Data Analysisusing IFEFFIT Ravel, B.; Newville, M. Physica Scripta https://doi.org/10.1238/Physica.Topical.115a01007	journal	January 2005
Membrane-Based Electrolysis for Hydrogen Production: A Review Ahmad Kamaroddin, Mohd Fadhzir; Sabli, Nordin; Tuan Abdullah, Tuan Amran Membranes, Vol. 11, Issue 11 https://doi.org/10.3390/membranes11110810	journal	October 2021

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58 GEOSCIENCES
density functional theory
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Title: Trends in electrocatalytic activity and stability of transition-metal nitrides

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