Jun Li (0000-0002-8456-3980)

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Jun Li received a Ph.D. in physical chemistry in 1992 from the Chinese Academy of Sciences with Prof. Jia-Xi Lu (deceased). He was a postdoctoral researcher at University of Siegen (Germany) with Prof. Dr. W. H. Eugen Schwarz and The Ohio State University (USA) with Prof. Bruce E. Bursten. He then worked as a Senior Research Scientist and later a Chief Scientist at Pacific Northwest National Laboratory, USA. He is now a ChangJiang Chair Professor at Tsinghua University, China, and an elected AAAS Fellow (https://www.aaas.org/fellows) and Chinese Chemical Society Fellow. He has published 560 peer-reviewed papers and six book chapters, with ~65,000 citations and H-index 108. His research interests include relativistic quantum chemistry, theoretical f-heavy-element chemistry, computational catalysis, and theoretical cluster chemistry.
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More information @ http://www.junlilab.org
http://www.junlilab.org/publications/selected%20publication.html
https://scholar.google.com/citations?user=qKvXbEoAAAAJ&hl=en

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Chelating Effect of Siderophore Desferrioxamine-B on Uranyl Biomineralization Mediated by Shewanella putrefaciens

Environmental Science & Technology

2024-02-27 | Journal article

DOI: 10.1021/acs.est.3c05753

Contributors: Xiaojing Lu; Yang-Yang Zhang; Wencai Cheng; Yingzhangyang Liu; Qingrong Li; Xiaoan Li; Faqin Dong; Jun Li; Xiaoqin Nie

Jun Li

https://orcid.org/0000-0002-8456-3980

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Works (50)

Chelating Effect of Siderophore Desferrioxamine-B on Uranyl Biomineralization Mediated by Shewanella putrefaciens

Computational Screening of Pt1@Ti3C2T2 (T = O, S) MXene Catalysts for Water–Gas Shift Reaction

Cross-catenation between position-isomeric metallacages

Synthesis and characterization of iron clusters with an icosahedral [Fe@Fe12]16+ Core

Constant Potential Thermodynamic Integration for Obtaining the Free Energy Profile of Electrochemical Reaction

Modeling Interfacial Dynamics on Single Atom Electrocatalysts: Explicit Solvation and Potential Dependence

Computational screening of M1/PW12O40 single-atom electrocatalysts for water splitting and oxygen reduction reactions

Single-atom catalysis enabled by high-energy metastable structures

Tetravalent Terbium Chelates: Stability Enhancement and Property Tuning

Electrochemical Potential-Driven Shift of Frontier Orbitals in M–N–C Single-Atom Catalysts Leading to Inverted Adsorption Energies

A tin-based tandem electrocatalyst for CO2 reduction to ethanol with 80% selectivity

Advances in heterogeneous single-cluster catalysis

Rh 19 − : A high-spin super-octahedron cluster

Screened Fe3 and Ru3 Single-Cluster Catalysts Anchored on MoS2 Supports for Selective Hydrogenation of CO2

Engineering Single-Atom Electrocatalysts for Enhancing Kinetics of Acidic Volmer Reaction

How Thermal Fluctuations Influence the Function of the FeMo-cofactor in Nitrogenase Enzymes

Stereoelectronic Modulation of a Single-Molecule Junction through a Tunable Metal–Carbon dπ–pπ Hyperconjugation

Activity Origin of the Nickel Cluster on TiC Support for Nonoxidative Methane Conversion

On the highest oxidation states of the actinoids in AnO4 molecules (An = Ac – Cm): A DMRG‐CASSCF study

Design of SA-FLP Dual Active Sites for Nonoxidative Coupling of Methane

Norm-Conserving 4f-in-Core Pseudopotentials and Basis Sets Optimized for Trivalent Lanthanides (Ln = Ce–Lu)

A polyoxometalate cluster-based single-atom catalyst for NH3 synthesis via an enzymatic mechanism

An ultrastable Ti-based metallocalixarene nanocage cluster with photocatalytic amine oxidation activity

Ancillary ligand-regulated Ti(iv)-based metallocalixarene coordination cages for photocatalytic H2 evolution

AuB8−: an Au–borozene complex

Recent progress and perspectives on single-atom catalysis

The smallest 4f-metalla-aromatic molecule of cyclo-PrB2− with Pr–B multiple bonds

Theoretical investigation on hydrogenation of dinitrogen triggered by singly dispersed bimetallic sites

Theoretical prediction of a graphene-like 2D uranyl material with p-orbital antiferromagnetism

Uncovering mechanisms of RT-LAMP colorimetric SARS-CoV-2 detection to improve assay reliability

Metal Affinity of Support Dictates Sintering of Gold Catalysts

Critical Role of Explicit Inclusion of Solvent and Electrode Potential in the Electrochemical Description of Nitrogen Reduction

How Thermal Fluctuations Influence the Function of the FeMo-cofactor in Nitrogenase Enzymes

A tin-based tandem electrocatalyst for CO2 reduction to ethanol with 80% selectivity

Bonding Nature of “Ionic Carbenes” in [M3(μ3–CH2)]-Containing Compounds: The Covalent Interaction

Exploring Stability of Transition-Metal Single Atoms on Cu2O Surfaces

Ultra-Efficient Americium/Lanthanide Separation through Oxidation State Control

Integrating Dissociative and Associative Routes for Efficient Ammonia Synthesis over a TiCN-Promoted Ru-Based Catalyst

Distinct electronic structures and bonding interactions in inverse-sandwich samarium and ytterbium biphenyl complexes

Tandem catalyzing the hydrodeoxygenation of 5-hydroxymethylfurfural over a Ni3Fe intermetallic supported Pt single-atom site catalyst

Singly Dispersed Bimetallic Sites as Stable and Efficient Single-Cluster Catalysts for Activating N2 and CO2

Fundamental insights into heterogeneous single-atom catalysis

Monovalent lanthanide(I) in borozene complexes

Theoretical Insights into Dual-Metal-Site Catalysts for the Nonoxidative Coupling of Methane

Heterogeneous Two-Atom Single-Cluster Catalysts for the Nitrogen Electroreduction Reaction

Rod-Shaped Silver Supercluster Unveiling Strong Electron Coupling between Substituent Icosahedral Units

Theoretical Inspection of M1/PMA Single-Atom Electrocatalyst: Ultra-High Performance for Water Splitting (HER/OER) and Oxygen Reduction Reactions (OER)

Electronic Structure and Spectroscopic Properties of Group-7 Tri-Oxo-Halides MO3X (M = Mn–Bh, X = F–Ts)

Norm-Conserving Pseudopotentials and Basis Sets to Explore Actinide Chemistry in Complex Environments

Metal Oxo-Fluoride Molecules OnMF2 (M = Mn and Fe; n = 1–4) and O2MnF: Matrix Infrared Spectra and Quantum Chemistry