About

Professor Rongchao Jin is a faculty member in the Department of Chemistry at Carnegie Mellon University, where he has served as Professor of Chemistry since 2015, following appointments as Associate Professor and Assistant Professor. He earned his Ph.D. in Chemistry from Northwestern University in 2003 and completed postdoctoral research at the James Franck Institute at the University of Chicago. His earlier education includes an M.S. in Catalysis from the Chinese Academy of Sciences and a B.S. in Chemical Physics from the University of Science and Technology of China. Professor Jin has been recognized with several awards, including the International Precious Metals Institute Advisor Award, the Asian Rising Star Award from the Federation of Asian Chemical Societies, and the Camille Dreyfus Teacher-Scholar Award. His research focuses on fundamental science and engineering challenges related to the creation and application of nanomaterials, particularly nanoparticles ranging from 1 to 100 nanometers in size. He develops chemical methods to synthesize new types of inorganic nanoclusters and nanocrystals, hybrid nano-architectures, and inorganic/polymer nanocomposites, employing advanced microscopy and spectroscopy techniques for characterization. His work aims to understand and control the size, shape, structure, and composition of nanoparticles to tailor their physical and chemical properties for applications in catalysis, optics, sensing, and energy conversion. A central theme of his research is the synthesis of metal nanoclusters and nanocrystals with precise atomic control, enabling the study of their unique electronic and surface properties that differ from larger nanocrystals. These atomically precise nanoclusters serve as promising catalysts with extraordinary activity and selectivity for industrial chemical processes. Additionally, Professor Jin investigates the linear and nonlinear optical properties of nanoparticles, using steady-state and ultrafast spectroscopy combined with high-resolution microscopy to elucidate the structure-property relationships critical for designing novel nanomaterials. His research also addresses challenges in heterogeneous catalysis by developing well-defined, atomically precise nanocluster catalysts characterized by X-ray crystallography, which provide new opportunities for fundamental understanding of catalytic mechanisms and size-dependent activity in metal nanocatalysis.

Research topics

• Materials science
• Chemistry
• Nanotechnology
• Optoelectronics
• Organic chemistry
• Crystallography
• Physics
• Metallurgy
• Atomic physics
• Biology
• Chemical physics
• Biochemistry
• Computational chemistry
• Photochemistry
• Nuclear magnetic resonance
• Condensed matter physics
• Biophysics

Selected publications

• When Do Band Gap Calculations Agree with Experiments in Monolayer-Protected Cu ₁₄ and Au ₂₀ Atomically Precise Nanoclusters? A (TD)-DFT Comparison of HOMO–LUMO, Fundamental, Optical, and Electrochemical Energy Gaps

  The Journal of Physical Chemistry C · 2026-04-13

  articleOpen access

  potentials computed using different density functional theory (DFT) or time-dependent DFT (TD-DFT) methods. Specifically, in both copper and gold nanoclusters, we test the effect of truncating inert ligands from the model and compare density functionals with varying degrees of Hartree-Fock (HF) exchange from 0 to 50%, range-separated hybrids with a varying long-range tuning parameter, different correlation functionals, basis sets, and (equilibrium and nonequilibrium) continuum solvation models. Despite having different frontier orbital characters (the copper nanocluster has a metal-to-ligand charge transfer character while the gold nanocluster has metal-centered frontier orbitals), both nanoclusters display a similar sensitivity of the HOMO-LUMO gap to the HF exchange that is partially mitigated when computing the fundamental, optical, and electrochemical gaps. Other factors, such as the nature of the correlation functional, basis set, and geometry relaxation, have a considerably smaller effect on computed band gaps in these systems. Overall, this work provides guidelines for factors of varied importance for correlating computed and experimental band gap values.

  PublisherDOI

• Tiara Ni Clusters for Electrocatalytic Nitrate Reduction to Ammonia with 97% Faradaic Efficiency

  Journal of the American Chemical Society · 2025-06-20 · 53 citations

  articleOpen accessCorresponding

  The electroreduction of nitrate (NO3–) for sustainable ammonia (NH3) production has recently emerged as a green process to solve water contamination and produce valuable chemicals. In this study, we developed Ni6@CuFe-LDH composites comprising tiara Ni6(SC2H4COOH)12 (Ni6) clusters anchored on the edges of 2D CuFe-LDH (LDH: layered double hydroxides) nanosheets via electrostatic interactions. The Ni6@CuFe-LDH catalyst exhibits high electrochemical performance in nitrate reduction reaction (NO3RR). Specifically, the Ni6@CuFe-LDH gives rise to an excellent faradaic efficiency of ∼97%, significantly surpassing the ∼73% FE of the pristine CuFe-LDH, with the NH3 productivity (0.91 mmol mg–1 h–1) being similar to that of the CuFe-LDH. Mechanistic studies reveal that the superior electrocatalysis of Ni6-based catalysts is primarily due to the synergistic interaction between Ni6 clusters and CuFe-LDH, which alters the rate-determining step (RDS) of the desorption of *NH3 species (for CuFe-LDH) to the *NO3 → *NO2 step (for Ni6@CuFe-LDH); this is corroborated by the control experiments of NO2RR, in situ Raman and infrared spectroscopies, and computational approaches. In all, these efforts push forward the NO3RR research to study the structure–property relationships from the micro/nano-level to the precise atomic-level.

  PublisherDOI

• High-Yield Synthesis of Cu₂₉ Nanoclusters and Their Applications in Photothermal Conversion and Catalysis

  Inorganic Chemistry · 2025-08-22 · 7 citations

  articleOpen accessSenior authorCorresponding

  Atomically precise copper nanoclusters (NCs) have received considerable interest in recent years.Significant progress is being made in understanding their synthesis, size/shape control, and crystallization techniques.Unlike Au and Ag nanoclusters, zerovalent Cu NCs are much more difficult to synthesize due to the low reduction potential of Cu(II) or Cu(I).However, Cu is unique in its catalytic reactivity and photothermal conversion.This study presents a high-yield procedure for bulk synthesis of a Cu 29 NC (in Cu(I) valence state) coprotected by cyclohexanethiolate (CHT) and triphenylphosphine (TPP), with its crystal structure characterized.The Cu 29 -CHT-TPP is further investigated as an effective photothermal material as well as a catalyst for the azidealkyne click-chemistry reactions.The Cu 29 NC possesses a good photothermal activity (e.g., a 22.4 C increase in 450 s for 0.4 OD 488 nm when irradiated 488 nm laser of 1.75 W/cm 2 ) and a photothermal efficiency of 33%, which rivals the best Au NCs reported.In the catalysis, it shows fast reactions and >90% yields under blue LED irradiation, along with good recyclability, when used as a homogeneous catalyst.The findings from this work may promote future explorations of Cu NCs in various applications.

  PublisherOA PDFDOI

• Manipulating the Intersystem Crossing Process in Atomically Precise Gold Nanoclusters

  The Journal of Physical Chemistry Letters · 2025-12-13 · 2 citations

  reviewOpen accessSenior authorCorresponding

  Atomically precise metal nanoclusters (NCs) have attracted wide research interest. In terms of electronic properties, a striking feature of such NCs is triplet excited state generation with remarkably high efficiency. Experimental and theoretical findings indicate that NCs are promising luminescent materials with room-temperature phosphorescence and thermally activated delayed fluorescence. However, the manipulation of triplet formation remains difficult due to the complexity of the electron dynamics in NCs. In this Perspective, we summarize recent advances in fundamental research on this topic. We first illustrate the typical spectral features of the triplet state and analytical methods such as time-resolved photoluminescence (TR-PL), transient absorption (TA), and temperature-dependent PL spectroscopies. We then focus on the recent understating of triplet states in NCs and how to manipulate the triplet states. Finally, we present the remaining challenges and future outlooks. This Perspective aims to contribute to the further design of NCs for efficient ISC processes and applications of the triplet states. With a fundamental understanding of the triplet states in NCs, one may develop star materials for triplet utilization in optoelectronics, photocatalysis, and near-infrared solar energy upconversion.

  PublisherDOI

• Long Lasting Research on the Atomically Precise Au₁₄₄(SR)₆₀ Nanocluster

  ACS Central Science · 2025-07-14

  articleOpen access1st authorCorresponding

  .

  PublisherDOI

• 33 Unresolved Questions in Nanoscience and Nanotechnology

  ACS Nano · 2025-09-04 · 22 citations

  articleOpen access

  Significant advances in science and engineering often emerge at the intersections of disciplines. Nanoscience and nanotechnology are inherently interdisciplinary, uniting researchers from chemistry, physics, biology, medicine, materials science, and engineering. This convergence has fostered novel ways of thinking and enabled the development of materials, tools, and technologies that have transformed both basic and applied research, as well as how we address critical societal challenges. In this Nano Focus, we pose and explore 33 questions whose answers could profoundly impact fields such as energy, electronics, the environment, optics, and medicine. These questions highlight the need for deeper foundational understanding, improved tools and techniques, and innovative applications─each with significant societal relevance. Together, they represent a global call-to-action for the scientific community.

  PublisherOA PDFDOI

• Triple‐Functional Cu _x Au _61‐x Nanoclusters with NIR‐II Photoluminescence, Photothermal and Photodynamic Properties and Their Bio‐Application

  Advanced Science · 2025-07-18 · 11 citations

  articleOpen accessCorresponding

  Abstract Atomically precise gold nanoclusters (NCs) hold great potential in optical and bio‐related applications due to their well‐defined atomic structures, near‐infrared‐II (NIR‐II) photoluminescence, and excellent biocompatibility. However, many applications require multi‐functionality in one entity, which poses significant challenges in the design of materials. Herein, a novel Cu x Au 61‐x NC is designed, exhibiting triple functionality, including NIR‐II luminescence, strong photothermal effect, and high catalytic activity. Crystallographic analysis reveals a penta‐icosahedral, oblate structure, with the Cu atoms being exclusively located in the core region, including one additional Cu atom at the center of the Cu x Au 61‐x structure. By comparing with the related, undoped Au 60 NC —which is non‐emissive and photocatalytically inactive, deep insights into the enhancement mechanisms are obtained. Furthermore, a multifunctional Cu x Au 61‐x @SiO 2 ‐FA (folic acid) nanoplatform is constructed for potential bio‐applications.

  PublisherOA PDFDOI

• Photostable Room-Temperature Single-Photon Emission from Atomically Precise Au24(SCH2Ph-tBu)20 Nanocluster

  2025-08-01

  article

  Atomically precise gold nanoclusters have garnered significant attention for their vast applications, ranging from biological labeling to optoelectronics. Their potential in optical quantum computing has recently become a key area of interest. This study uses photon antibunching experiments to explore the single-photon emission efficiency of atomically precise Au24 nanoclusters protected by 4-tert-butylbenzyl mercaptan (TBBM) ligands. The results indicate that Au24(TBBM)20 exhibits photostable, blinking-free quantum emission at room temperature. This research advances the understanding of single-emitter behavior in atomically precise gold nanoclusters, contributing to the development of stable quantum emitters essential for quantum computing and cryptography.

  PublisherDOI

• Generalizable Organic-to-Aqueous Phase Transfer of a Au₁₈ Nanocluster with Luminescence Enhancement and Robust Photocatalysis in Water

  ACS Nano · 2025-02-28 · 18 citations

  articleOpen accessSenior authorCorresponding

  For the majority of gold nanoclusters (NCs), their water insolubility, low photoluminescence (PL) intensity, and less understood photostability are three critical factors that limit their application in the biomedical and photocatalysis fields. In this study, we report a polymer wrapping method for phase transfer of organic soluble NCs into aqueous phase without degrading the electronic and optical properties, and such materials are further demonstrated for robust photocatalysis in water. We first synthesized a Au18(DMBT)14 NC (DMBT = 2,4-dimethylbenzenethiolate) and found that the aromatic ligands confer a greatly enhanced antioxidation capability of the NC compared to the Au18(CHT)14 counterpart (CHT = cyclohexanethiolate), with the critical role of aromatic ligand interactions identified by X-ray crystallography. The organic soluble Au18(DMBT)14 was successfully transferred into the aqueous phase by an amphiphilic polymer (Pluronic F127, abbrev. F127) wrapping method, producing Au18-D@F127 nanoparticles [each containing a few NCs; Au18-D is an abbreviation for Au18(DMBT)14] with a 10-fold enhancement in PL intensity, and similar results were also obtained for Au18(CHT)14. This method is broadly applicable to various NCs, rendering their water solubility and significantly enhancing the PL intensity of otherwise weakly emissive gold NCs. The exceptional antioxidation stability of Au18(DMBT)14 enables the application of Au18-D@F127 NPs for the photocatalytic activation of persulfate ions and subsequent photodegradation of water pollutants efficiently.

  PublisherOA PDFDOI

• Author response for "Accelerated Intersystem Crossing Enhances NIR Emission in Au<sub>52</sub>(SR)<sub>32</sub> Nanoclusters by Surface Ligand Engineering"

  2025-08-21

  peer-review
  PublisherDOI

Recent grants

• DMREF/Collaborative Research: Designing Tunable Au-Based Bimetallic Nanocatalysts

  NSF · $287k · 2014–2017

• On the origin of plasmons in metal nanoparticles

  NSF · $800k · 2018–2023

Frequent coauthors

• Huifeng Qian

  Shaoxing Second Hospital

  91 shared

• Manzhou Zhu

  Anhui University

  90 shared

• Chenjie Zeng

  University of Florida

  85 shared

• Nathaniel L. Rosi

  University of Pittsburgh

  79 shared

• Zhikun Wu

  Chinese Academy of Sciences

  73 shared

• Yongbo Song

  63 shared

• Meng Zhou

  62 shared

• Gao Li

  Dalian Institute of Chemical Physics

  60 shared

Education

• Ph.D.

  Northwestern University

  2003

Awards & honors

• 2020 US National Science Foundation Creativity Award
• 2019 International Precious Metals Institute (IPMI) Student…
• 2013 Asian Rising Star Award, Federation of Asian Chemical S…
• 2011 Camille Dreyfus Teacher-Scholar Award