PUBLICATIONS

2025

Experimental and kinetic treatments of reaction rates influenced by deactivation during alkane dehydrogenation on dispersed metal nanoparticles.

Z. Zhang, W. Hu*, submitted (invited perspective) 

Mechanistic Descriptions and Kinetic Trends in CO2 Hydrogenation on Ru, Co, and Ni Nanoparticles.

W. Hu, G. Tate, E. Iglesia*, ACS Catalysis (2025) accepted

Direct entanglement ansatz learning (DEAL) with ZNE on error-prone superconducting qubits.

Z. Guo, S. Rayan, W. Hu, Z. Pan, arXiv preprint arXiv:2504.04021 (2025)

A Mechanism-Based Strategy for Controlling CH4 and CO Selectivities in CO2–H2 Reactions on Dispersed Ru, Co, and Ni Nanoparticles. 

W. Hu, G. Tate, E. Iglesia*,  Journal of the American Chemical Society 147 (2025), 19185−19199.

2024

Dynamics of Elementary Steps on Metal Surfaces at High Coverages: The Prevalence and Kinetic Competence of Contiguous Bare-Atom Ensembles. 

W. Hu, E. Iglesia*,  Journal of the American Chemical Society 146 (2024), 22064−22076.

Revisiting dispersion and reactivity of active sites via a restricted random distribution model over supported vanadia catalysts for NO reduction. 

J. Xue, Y. Zhang, W. Hu, Y. Chen, Z. Yang, J. Ran, X. Li, X. Tu, X. Du*, Fuel 357 (2024), 129674.

2023

Consequences of metal-acid site proximity for alkane isomerization and β-scission mediated by bifunctional catalytic cascades. 

W. Hu, G. Noh, E. Iglesia*,  Journal of Catalysis 425 (2023), 125–142.

Dual-Site RHC and OHC transient kinetics predict low-T standard SCR steady-state rates over a Cu-CHA catalyst. 

N.D. Nasello, N. Usberti, U. Iacobone, F. Gramigni, W. Hu, S. Liu, I. Nova, X. Gao, E. Tronconi*, ACS Catalysis 13 (2023), 2723-2734.

Mechanistic assessment of NO oxidative activation on tungsten-promoted ceria catalysts and its consequence for low-temperature NH3-SCR. 

W. Hu, Y. Zhang, X. Wang, W. Wu, H. Song, Y. Yang, S. Liu, C. Zheng, X. Gao*, Applied Energy 330 (2023), 120306.

2022

Dynamic Binuclear CuII Sites in the Reduction Half-Cycle of Low-Temperature NH3–SCR over Cu-CHA Catalysts. 

W. Hu, F. Gramigni, N.D. Nasello, N. Usberti, U. Iacobone, S. Liu, I. Nova, X. Gao, E. Tronconi*, ACS Catalysis 12 (2022), 5263-5274.

A probe into the low-temperature SCR activity: NO oxidative activation to nitrite-intermediates. 

Y. Zhang, Y. Dong, R. Zou, Z. Zhou, W. Hu, M. Ran, H. Song*, S. Liu, C. Zheng, X. Gao*, Catalysis Letters 152 (2022), 1140-1144.

2021

Unraveling the Hydrolysis of Z2Cu2+ to ZCu2+(OH)− and Its Consequences for the Low-Temperature Selective Catalytic Reduction of NO on Cu-CHA Catalysts. 

W. Hu, U. Iacobone, F. Gramigni, Y. Zhang, X. Wang, S. Liu, C. Zheng, I. Nova, X. Gao*, E. Tronconi*, ACS Catalysis 11 (2021), 11616-11625.

Transient Kinetic Analysis of Low-Temperature NH3-SCR over Cu-CHA Catalysts Reveals a Quadratic Dependence of Cu Reduction Rates on CuII. 

F. Gramigni, N.D. Nasello, N. Usberti, U. Iacobone, T. Selleri, W. Hu, S. Liu, X. Gao, I. Nova, E. Tronconi*, ACS Catalysis 11 (2021), 4821-4831.

On the Redox Mechanism of Low‐Temperature NH3‐SCR over Cu‐CHA: A Combined Experimental and Theoretical Study of the Reduction Half Cycle. 

W. Hu, T. Selleri, F. Gramigni, E. Fenes, KR. Rout, S. Liu, I. Nova, D. Chen, X. Gao*, E. Tronconi*, Angewandte Chemie International Edition 60 (2021), 7197-7204. (Hot Paper)

Mechanism and Enhancement of the Low-Temperature Selective Catalytic Reduction of NOx with NH3 by Bifunctional Catalytic Mixtures. 

W. Hu, R. Zou, Y. Dong, Y. Zhang, M. Ran, Q. Xin, Y. Yang, H. Song, W. Wu, S. Liu, C. Zheng, X. Gao*, Industrial & Engineering Chemistry Research 60 (2021), 6446-6454.

Accelerated identification of high-performance catalysts for low-temperature NH3-SCR by machine learning. 

Y. Dong, Y. Zhang, M. Ran, X. Zhang, S. Liu, Y. Yang, W. Hu, C. Zheng, X. Gao*, Journal of Materials Chemistry A 9 (2021), 23850-23859.

2020

An experimental and modelling study of the reactivity of adsorbed NH3 in the low temperature NH3-SCR reduction half-cycle over a Cu-CHA catalyst. 

N. Usberti, F. Gramigni, N.D. Nasello, U. Iacobone, T. Selleri, W. Hu, S. Liu, X. Gao, I. Nova, E. Tronconi*, Applied Catalysis B: Environmental 279 (2020), 119397.

Synergy of vanadia and ceria in the reaction mechanism of low-temperature selective catalytic reduction of NOx by NH3. 

W Hu, R Zou, Y Dong, S Zhang, H Song, S Liu, C Zheng, I Nova, E. Tronconi, X. Gao*, Journal of Catalysis 391 (2020), 145-154.

2019

Low temperature catalytic oxidation of propane over cobalt-cerium spinel oxides catalysts. 

S. Zhang, S. Liu, X. Zhu, Y. Yang, W. Hu, H. Zhao, R. Qu, C. Zheng, X. Gao*. Applied Surface Science 479 (2019), 1132-1140.

Structure and crystal phase transition effect of Sn doping on anatase TiO2 for dichloromethane decomposition.

Y. Yang, H. Li, H. Zhao, R. Qu, S. Zhang, W. Hu, X. Yu, X. Zhu, S. Liu, C. Zheng, X. Gao*, Journal of Hazardous Materials 371 (2019), 156-164.

Plasma-catalytic decomposition of ethyl acetate over LaMO3 (M= Mn, Fe, and Co) perovskite catalysts.

Y. Cai, X. Zhu, W. Hu, C. Zheng, Y. Yang, M. Chen, X. Gao*, Journal of Industrial and Engineering Chemistry 70 (2019), 447-452.

New insight into alkali resistance and low temperature activation on vanadia-titania catalysts for selective catalytic reduction of NO.

S. Zhang, S. Liu, W. Hu, X. Zhu, R. Qu, W. Wu, C. Zheng, X. Gao*, Applied Surface Science 466 (2019), 99-109.

2018

Mechanistic investigation of NH3 oxidation over V-0.5 Ce(SO4)2/Ti NH3-SCR catalyst. 

W. Hu, S. Zhang, Q. Xin, R. Zou, C. Zheng, X. Gao*, K. Cen, Catalysis Communications 112 (2018), 1-4.

2017

Improvement in activity and alkali resistance of a novel V-Ce (SO4)2/Ti catalyst for selective catalytic reduction of NO with NH3. 

W. Hu, Y. Zhang, S. Liu, C. Zheng, X. Gao*, I. Nova, E. Tronconi*, Applied Catalysis B: Environmental 206 (2017), 449-460.

2016

Deactivation mechanism of arsenic and resistance effect of SO42− on commercial catalysts for selective catalytic reduction of NOx with NH3. 

W. Hu, X. Gao*, Y. Deng, R. Qu, C. Zheng, X. Zhu, K. Cen, Chemical Engineering Journal 293 (2016), 118-128.

2014

Catalyst design based on DFT calculations: Metal oxide catalysts for gas phase NO reduction.

X. Du, X. Gao*, W. Hu, J. Yu, Z. Luo, K. Cen, The Journal of Physical Chemistry C 118 (2014), 13617-13622.