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Hongliang Xin

Hongliang Xin 

Assistant Professor of Virginia Tech University



PhD  2011
Chemical Engineering  
University of Michigan, Ann Arbor
MSc 2005
Chemical Engineering,
Tsinghua University, Beijing, China
BS 1996
Chemical Engineering,
Tianjin University, Tianjin China

Research Interests:

Structure-Function Relationships in Catalysis

Ab-Initio Multscale Modeling

Electronic/Structural Dynamics at Interfaces

Machine Learning in Catalysts Informatics

Metal Organic Frameworks (MOFs) for Catalysis

 Photocatalytic Water Splitting on Plasmonic Nanoassemblies


Publications :

Ma, Xianfeng, Zheng Li, Luke E. K. Achenie, and Hongliang Xin. “Machine-LearningAugmented Chemisorption Model for CO2 Electroreduction Catalyst Screening”. In: The Journal of Physical Chemistry Letters, pp. 3528–3533. 10.1021/acs.jpclett.5b01660.


Ma, Xianfeng et al. “Engineering Complex, Layered Metal Oxides: High-Performance Nickelate Oxide Nanostructures for Oxygen Exchange and Reduction”. In: ACS Catalysis, pp. 4013– 4019. 10.1021/acscatal.5b00756.


Öström, H. et al. “Probing the transition state region in catalytic CO oxidation on Ru”. en. In: Science 347.6225, pp. 978–982. 10.1126/science.1261747.


Xin, H. et al. “Strong Influence of Coadsorbate Interaction on CO Desorption Dynamics on Ru(0001) Probed by Ultrafast X-Ray Spectroscopy and Ab Initio Simulations”. In: Phys. Rev. Lett. 114.15, p. 156101. 10.1103/PhysRevLett.114.156101.


 Kale, Matthew J., Talin Avanesian, Hongliang Xin, Jun Yan, and Phillip Christopher. “Controlling Catalytic Selectivity on Metal Nanoparticles by Direct Photoexcitation of Adsorbate–Metal Bonds”. In: Nano Lett. 14.9, pp. 5405–5412. 10.1021/nl502571b.


Xin, Hongliang, Aleksandra Vojvodic, Johannes Voss, Jens K. Nørskov, and Frank AbildPedersen. “Effects of d-band shape on the surface reactivity of transition-metal alloys”. In: Phys. Rev. B 89.11, p. 115114. 10.1103/PhysRevB.89.115114.


Holewinski, Adam, Hongliang Xin, Eranda Nikolla, and Suljo Linic. “Identifying optimal active sites for heterogeneous catalysis by metal alloys based on molecular descriptors and electronic structure engineering”. In: Curr. Opin. Chem. Eng. 2.3, pp. 312–319. 10.1016/j.coche.2013.04.006.


Linic, Suljo, Phillip Christopher, Hongliang Xin, and Andiappan Marimuthu. “Catalytic and Photocatalytic Transformations on Metal Nanoparticles with Targeted Geometric and Plasmonic Properties”. In: Acc. Chem. Res. 46.8, pp. 1890–1899. 10.1021/ar3002393.


Christopher, Phillip, Hongliang Xin, Andiappan Marimuthu, and Suljo Linic. “Singular characteristics and unique chemical bond activation mechanisms of photocatalytic reactions on plasmonic nanostructures”. en. In: Nat Mater 11.12, pp. 1044–1050. 10.1038/nmat3454.


Xin, Hongliang, Adam Holewinski, and Suljo Linic. “Predictive Structure–Reactivity Models for Rapid Screening of Pt-Based Multimetallic Electrocatalysts for the Oxygen Reduction Reaction”. In: ACS Catal. 2.1, pp. 12–16. 10.1021/cs200462f.


Xin, Hongliang, Adam Holewinski, Neil Schweitzer, Eranda Nikolla, and Suljo Linic. “Electronic Structure Engineering in Heterogeneous Catalysis: Identifying Novel Alloy Catalysts Based on Rapid Screening for Materials with Desired Electronic Properties”. en. In: Top Catal 55.5-6, pp. 376–390. 10.1007/s11244-012-9794-2.


Christopher, Phillip, Hongliang Xin, and Suljo Linic. “Visible-light-enhanced catalytic oxidation reactions on plasmonic silver nanostructures”. en. In: Nat Chem 3.6, pp. 467–472. 10.1038/nchem.1032.


Schweitzer, Neil, Hongliang Xin, Eranda Nikolla, Jeffrey T. Miller, and Suljo Linic. “Establishing Relationships Between the Geometric Structure and Chemical Reactivity of Alloy Catalysts Based on Their Measured Electronic Structure”. In: Top Catal 53.5-6, pp. 348–356. 10.1007/s11244-010-9448-1.


Xin, Hongliang and Suljo Linic. “Communications: Exceptions to the d-band model of chemisorption on metal surfaces: The dominant role of repulsion between adsorbate states and metal d-states”. In: J. Chem. Phys. 132.22, pp. 221101–221101–4. 10.1063/1.3437609.


 Xin, Hongliang, Neil Schweitzer, Eranda Nikolla, and Suljo Linic. “Communications: Developing relationships between the local chemical reactivity of alloy catalysts and physical characteristics of constituent metal elements”. In: J. Chem. Phys. 132.11, pp. 111101– 111101–4. 10.1063/1.3336015.


Xin, Hongliang, Qin Wu, Minghan Han, Dezheng Wang, and Yong Jin. “Alkylation of benzene with 1-dodecene in ionic liquids [Rmim]+Al2Cl6X - (R = butyl, octyl and dodecyl; X = chlorine, bromine and iodine)”. In: Appl. Catal., A 292, pp. 354–361. 10.1016/j.apcata.2005.06.012



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