About

Huiyuan Zhu is an Associate Professor of Chemistry and Chemical Engineering at the University of Virginia. He received his B.Sc. in Chemistry from the University of Science and Technology of China in 2009 and completed his Ph.D. in Chemistry at Brown University in 2014. His research group focuses on developing new synthetic strategies for well-defined nanocrystals and two-dimensional (2D) materials with atomically precise surfaces and interfaces. The aim is to understand how atomic structure influences catalyst performance and to utilize this knowledge to design optimized catalysts for energy conversion and chemical transformation processes. His research specifically addresses fundamental questions in catalysis, including identifying active sites and their evolution under reaction conditions, steering reaction pathways toward desirable products by modulating active sites and their environments, and overcoming adsorption-energy scaling relations. His work has implications for electrochemical CO2 conversion, sustainable nitrogen cycling, and heterogeneous thermocatalytic reactions such as acetylene semi-hydrogenation. Dr. Zhu's contributions include advancing the understanding of catalytic processes and developing materials for sustainable energy and chemical production.

Research topics

• Materials science
• Chemical engineering
• Nanotechnology
• Chemistry
• Inorganic chemistry

Selected publications

• Author response for "Single-Atom Molybdenum Doping Induces Nickel Oxide-to-Hydroxide Transformation for Enhanced Alkaline Hydrogen Evolution"

  2025-06-17

  peer-reviewSenior author
  PublisherDOI

• Decoupling size and surface effects of intermetallic CuPd nanocrystals for electrocatalytic nitrate reduction to ammonia

  Chem Catalysis · 2025-08-18 · 2 citations

  article
  PublisherDOI

• Strain relaxation enhances ammonia electrosynthesis from nitrate on Cu/CuAu core/shell nanocrystals with ordered intermetallic layers

  Chem Catalysis · 2025-03-24 · 3 citations

  articleSenior author
  PublisherDOI

• Imaging features and preoperative diagnostic insights of esophageal schwannomas as a rare type

  Clinical Imaging · 2025-04-09 · 2 citations

  articleOpen access

  PURPOSE: We aimed to analyze and summarize the key features of esophageal schwannomas to provide new insights into preoperative diagnosis and enhance clinical recognition. METHODS: F-FDG PET-CT, esophagoscopy, and endoscopic ultrasound were compiled and analyzed. RESULTS: Our cohort comprised 10 males and 11 females, with mean age of 55.86 ± 9.09 years. The mean tumor size was 5.69 ± 1.32 cm, with tumors commonly located in the upper to middle esophagus. 83.3 % (10/12) presented smooth filling defects with intact canal walls in barium meal. Most tumors (71.4 %, 15/21) were oval-shaped, exhibiting intracavitary growth with well-defined borders. Mild enhancement was observed on CT with pre-contrast attenuation of 36.0 ± 53.87 HU and post-contrast enhancement of 52.75 ± 7.45 HU. Most lesions showed plateau dynamic enhancement on MRI (85.7 %, 6/7). Air crescent signs (95.2 %, 20/21) and fascicular signs (87.5 %, 7/8) were observed in most cases. Neither calcifications nor target signs were observed, and cystic changes were infrequent. All lesions showed high uptake on PET-CT (SUVmax: 11.19 ± 3.41). Endoscopic lesions typically exhibit smooth surfaces, soft textures, and colors ranging from normal to slightly lighter hues (94.7 %, 18/19). Endoscopic ultrasound indicated minimal blood flow within lesions (53.8 %, 7/13), and elastography displayed a blue-green pattern (100 %, 5/5). CONCLUSION: Esophageal schwannomas exhibit distinct imaging characteristics. MRI provides additional diagnostic information for more accurate evaluation, while high metabolic activity on PET-CT may mimic malignancy.

  PublisherOA PDFDOI

• Single-atom molybdenum doping induces nickel oxide-to-hydroxide transformation for enhanced alkaline hydrogen evolution

  Nanoscale Horizons · 2025-01-01 · 2 citations

  articleOpen accessSenior author

  Single-atom Mo doping induces the structural transformation of NiO into Ni(OH) 2 during the alkaline hydrogen evolution reaction, significantly enhancing catalytic activity.

  PublisherOA PDFDOI

• Sustainable synthesis of polymer-grade ethylene via electrified acetylene semihydrogenation

  Proceedings of the National Academy of Sciences · 2025-07-09 · 2 citations

  articleOpen accessSenior authorCorresponding

  The electrocatalytic semihydrogenation of acetylene (C 2 H 2 ), powered by renewable electricity, provides an energy- and cost-efficient alternative to conventional thermocatalytic methods for purifying crude ethylene (C 2 H 4 ) streams. This approach provides a more sustainable route to polymer-grade C 2 H 4 by reducing greenhouse gas emissions, yet its commercial potential remains limited by the scarcity of high-performance catalysts and the absence of comprehensive techno-economic analyses for large-scale implementation. In this study, we conduct an extensive screening and evaluation of monodisperse metal nanoparticle (NP) catalysts (Cu, Ag, Au, Pd, Bi) with tunable particle sizes and morphologies for the electrocatalytic semihydrogenation of C 2 H 2 in flow reactors. Among these candidates, 45 nm Cu nanocubes and 8 nm Ag NPs exhibited the highest performance. In a simulated crude ethylene stream (C 2 H 2 : C 2 H 4 = 1:80), Cu nanocubes achieved 99.7% C 2 H 2 removal at room temperature with a specific selectivity of 86.7% for C 2 H 4 and maintained stability for 120 h. Meanwhile, 8 nm Ag NPs exhibited a high specific selectivity of 98.9%, with 96.7% conversion and 24-h stability under the same conditions. A detailed techno-economic analysis confirms the feasibility of electrocatalytic systems for industrial-scale crude ethylene treatment, with an optimal conversion cost of $0.74 per kg of C 2 H 2 , compared to $1.34 per kg for the optimized thermocatalytic system. Furthermore, our life cycle assessment highlights the environmental benefits of the electrocatalytic pathway with a carbon emission reduction of over 50%. Our electrified, efficient C 2 H 2 semihydrogenation in C 2 H 4 crude streams minimizes environmental impact and optimizes resource use, contributing to a more sustainable future.

  PublisherDOI

• Transition-metal nitrides: Pioneering a new era in the hydrogen evolution reaction

  Chem Catalysis · 2024-02-01 · 3 citations

  articleSenior authorCorresponding
  PublisherDOI

• En route to a circular nitrogen economy

  Nature Sustainability · 2024-08-28 · 8 citations

  articleSenior authorCorresponding
  PublisherDOI

• Electrifying Energy and Chemical Transformations with Single-Atom Alloy Nanoparticle Catalysts

  ACS Catalysis · 2024-04-08 · 19 citations

  articleOpen accessSenior authorCorresponding

  Single-atom alloys (SAAs) have attracted considerable attention as promising electrocatalysts in reactions central to energy conversion and chemical transformation. In contrast to monometallic nanocrystals and metal alloys, SAAs possess unique and intriguing physicochemical properties, positioning them as ideal model systems for studying structure-property relationships. However, the field is still in its early stages. In this Perspective, we first review and summarize rational synthesis methods and advanced characterization techniques for SAA nanoparticle catalysts. We then emphasize the extensive applications of SAAs in a range of electrocatalytic reactions, including fuel cell reactions, water splitting, and carbon dioxide and nitrate reductions. Finally, we provide insights into existing challenges and prospects associated with the controlled synthesis, characterization, and design of SAA catalysts.

  PublisherOA PDFDOI

• Numerical simulation of temperature field around buried pipes of ground source heat pumps based on mathematical models

  Thermal Science · 2024-01-01 · 3 citations

  articleOpen access1st authorCorresponding

  The author established a physical and mathematical model for the heat exchange of a ground source heat pump buried heat exchanger under the co-operation of heat and seepage, including the soil and fluid inside the pipe surrounding the heat exchanger. Using ANSYS finite element APDL language for programming, based on the line heat source model, simulate the temperature field around the vertical double U-tube underground heat exchanger, the effects of soil thermophysical properties, temperature outside the pipe, soil type and backfill material on soil temperature field were obtained through simulation analysis. The experimental results indicate that, the changes in soil temperature are also significant with different backfill materials. Therefore, it is necessary to conduct serious research and optimization on backfill materials, develop new types of backfill materials, improve backfill construction techniques, and conduct in-depth research by combining theoretical analysis with practical engineering to ultimately find efficient and economical backfill materials. The change in equivalent pipe diameter has little effect on soil temperature, and the linear heat source model is used for calculation without causing significant errors. It has been proven that the soil itself has strong resilience and has reference value for the design of buried heat exchangers in practical engineering.

  PublisherOA PDFDOI

Recent grants

• CAS: Cooperative Site and Electrolyte Design for Optimizing Interfacial Electrokinetics

  NSF · $515k · 2021–2023

Frequent coauthors

• Shouheng Sun

  Brown University

  88 shared

• Sen Zhang

  66 shared

• Sheng Dai

  Oak Ridge National Laboratory

  64 shared

• Liheng Wu

  National Institute of Biological Sciences, Beijing

  29 shared

• Qing Li

  University of Science and Technology of China

  28 shared

• Pengfei Zhang

  Shaanxi University of Science and Technology

  27 shared

• Peiwen Wu

  Jiangsu University

  26 shared

• Adriana Mendoza‐Garcia

  Agency for Science, Technology and Research

  22 shared

Education

• PhD, Chemistry

  Brown University

  2014