Photo of Hong Li(hongli2)

Hong Li

Member of the Graduate Faculty,
Associate Research Professor,

Chemistry & Biochemistry - Sci
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Grant: $2.0MHiring
Hong received her Ph.D. degree in Particle and Statistical Physics from Nankai University of China in 1996. She joined the Bredas research group in 2005. Her present research interests include the investigation of the electronic, optical, and magnetic properties of various bulk and interfacial systems, especially the two-dimensional organic covalent frameworks and their interfaces with different substrates, the hybrid organic-inorganic perovskites for solar cell applications, and various organic/organic and organic/inorganic interfaces as well as the charge-transfer and charge-separation processes across such interfaces.
Hong Li experts in condensed matter physics, inorganic chemistry, materials science, perovskite solar cells, chemistry, organic electronics, catalysis, physics, organic photovoltaics, organic chemistry, spectroscopy, electrochemistry, electrocatalysis, 2d materials, nanomaterials, surface science, computational chemistry, organic semiconductors, nanotechnology, neuropsychology, cognitive neuroscience, zeolites, nanoclusters, molecular crystals, surface chemistry, analytical chemistry, nanopore, bioelectronics, self-assembly, computational materials science, neuroimaging, organometallic chemistry, cognitive psychology, physical chemistry, molecular beam epitaxy, organometallics, nanoelectronics, optoelectronics, polymer chemistry
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Recent Grants
Logo of Center for Soft PhotoElectroChemical Systems (SPECS) funding agency
2022 $1.8MActive
Center for Soft PhotoElectroChemical Systems (SPECS)
Logo of Novel Electronic, Excitonic, and Optical Features in 2D Lead-Halide Hybrid Perovskites Via Tuning of the Electronic Couplings Between Organic Spacers and Inorganic Layers funding agency
2022 $223.4KActive
Novel Electronic, Excitonic, and Optical Features in 2D Lead-Halide Hybrid Perovskites Via Tuning of the Electronic Couplings Between Organic Spacers and Inorganic Layers
2016TLA Sets Performance Records in 3rd Full Year  
2016UA Licenses Technology That Would Suppress Leukemia  
2015UA Startup to Develop Cancer Treatment 
2010BIO5 Oro Valley Facility to Fast-Track Innovation  
Publications (106)
2023Electronic Spin Qubit Candidates Arrayed within Layered Two-Dimensional Polymers 
2023Ground-State Spin Dynamics in d1 Kagome-Lattice Titanium Fluorides 
2023[2,1,3]-Benzothiadiazole-Spaced Co-Porphyrin-Based Covalent Organic Frameworks for O2 Reduction 
2022Spacer engineering of diammonium‐based 2D perovskites toward efficient and stable 2D/3D heterostructure perovskite solar cells 
2022Evolution of the Nature of Excitons and Electronic Couplings in Hybrid 2D Perovskites as a Function of Organic Cation π‐Conjugation 
2022Controlled n-Doping of Naphthalene-Diimide-Based 2D Polymers 
2022Organic self-assembled monolayers on superconducting NbSe2: interfacial electronic structure and energetics 
2022Engineering of flat bands and Dirac bands in two-dimensional covalent organic frameworks (COFs): relationships among molecular orbital symmetry, lattice symmetry, and … 
2022Direct Characterization of Type-I Band Alignment in 2D Ruddlesden–Popper Perovskites 
2022Heterotriangulene-based covalent networks on noble metal surfaces studied through STM and TOF-SIMS 
2022Understanding the Double Doping of Organic Semiconductors Via State Energy Renormalization upon Charging 
2022Spacer Engineering of Diammonium-Based 2D Perovskites toward Efficient and Stable 2D/3D Heterostructure Perovskite Solar Cells 
2022Engineering of flat bands and Dirac bands in two-dimensional covalent organic frameworks (COFs): relationships among molecular orbital symmetry, lattice symmetry, and electronic-structure characteristics 
2022High‐performance ternary perovskite–organic solar cells 
2022Engineering surface orientations for efficient and stable hybrid perovskite single-crystal solar cells 
2022Tailoring on-surface molecular reactions and assembly through hydrogen-modified synthesis: From triarylamine monomer to 2D covalent organic framework 
2021Controlling on-surface synthesis of 2D covalent organic networks using hydrogen 
2021Evolution of the Nature of Excitons and Electronic Couplings in Hybrid 2D Perovskites as a Function of Organic Cation π-Conjugation 
2021Scanning Tunneling Microscopy and Spectroscopy of Heterotriangulene-based 2D Polymers 
2021Impact of Imine Bond Orientations on the Geometric and Electronic Structures of Imine‐based Covalent Organic Frameworks 
2021Thermally conductive ultra-low-k dielectric layers based on two-dimensional covalent organic frameworks 
2021Robust Molecular Dipole‐Enabled Defect Passivation and Control of Energy Level Alignment for High‐Efficiency Perovskite Solar Cells 
2020Humidity Sensing through Reversible Isomerization of a Covalent Organic Framework 
2020Emergent optical properties in crystalline, semiconducting 2D covalent organic framework/TMD heterostructures 
2020Mechanism of Formation of Benzotrithiophene-Based Covalent Organic Framework Monolayers on Coinage-Metal Surfaces: C–C Coupling Selectivity and Monomer–Metal Interactions 
2020Revealing the Local Electronic Structure of a Single-Layer Covalent Organic Framework through Electronic Decoupling 
2020Electronically Coupled 2D Polymer/MoS2 Heterostructures 
2020Scanning Probe Microscopy of Two Dimensional Covalent Organic Frameworks 
2020STM Characterization of hBN-Decoupled Covalent Organic Frameworks 
2020Doping Modulation of the Charge Injection Barrier between a Covalent Organic Framework Monolayer and Graphene 
2020Correction: Characterization of the Valence and Conduction Band Levels of n= 1 2D Perovskites: A Combined Experimental and Theoretical Investigation (Advanced Energy Materials … 
2020Structural and Electronic Impact of an Asymmetric Organic Ligand in Diammonium Lead Iodide Perovskites 
2019Recent advances in the computational characterization of π-conjugated organic semiconductors 
2019Electronic Structure of Two-Dimensional π-Conjugated Covalent Organic Frameworks 
2019Quantum Well Energetics of an n = 2 Ruddlesden–Popper Phase Perovskite 
2019Pathway Complexity in the Stacking of Imine-Linked Macrocycles Related to Two-Dimensional Covalent Organic Frameworks 
2019Demonstrating Band Design in Two-Dimensional Covalent Organic Frameworks 
2019Design and synthesis of two-dimensional covalent organic frameworks with four-arm cores: prediction of remarkable ambipolar charge-transport properties 
2019Defect-triggered phase transition in cesium lead halide perovskite nanocrystals 
2019Local Electronic Structure of Molecular Heterojunctions in a Single-Layer 2D Covalent Organic Framework 
2019Emergence of an Antiferromagnetic Mott Insulating Phase in Hexagonal π-Conjugated Covalent Organic Frameworks 
2019Dynamically Switching the Electronic and Electrostatic Properties of Indium–Tin Oxide Electrodes with Photochromic Monolayers: Toward Photoswitchable Optoelectronic Devices 
2018Quantitative relations between interaction parameter, miscibility and function in organic solar cells 
2018Tuning the Electronic Structure of Two-Dimensional Covalent Organic Frameworks (2D-COFs) by an Asymmetrical Bonding Scheme 
2018Electrode work function engineering with phosphonic acid monolayers and molecular acceptors: charge redistribution mechanisms 
2018Hydrolytic Stability of Boronate Ester‐Linked Covalent Organic Frameworks 
2018Dynamically switching the surface electronic and electrostatic properties of indium tin oxide electrodes with photochromic monolayers 
2018Layer-dependent Rashba band splitting in 2D hybrid perovskites 
2018Impact of Hydroxylation and Hydration on the Reactivity of α‐Fe2O3 (0001) and (102) Surfaces under Environmental and Electrochemical Conditions 
2018Impact of organic spacers on the carrier dynamics in 2D hybrid lead-halide perovskites 
2018Characterization of the Valence and Conduction Band Levels of n = 1 2D Perovskites: A Combined Experimental and Theoretical Investigation 
2018Local electronic structure of a single-layer porphyrin-containing covalent organic framework 
2017ERP research on theory of mind: Perspective from the multiple elements framework 
2017Reduction of the work function of gold by N-heterocyclic carbenes 
2017Synthesis and Local Characterization of a Porphyrin-based Single-layer Covalent Organic Framework 
2017Organic Field‐Effect Transistors: A 3D Kinetic Monte Carlo Simulation of the Current Characteristics in Micrometer‐Sized Devices 
2017Probing the local electronic structure of a porphyrin-based single-layer covalent organic framework using STS 
2017Excitonic and polaronic properties of 2D hybrid organic–inorganic perovskites 
2017Nucleation and growth of covalent organic frameworks from solution: the example of COF-5 
2017Impact of interfacial molecular orientation on radiative recombination and charge generation efficiency 
2016Surface polarization drives photoinduced charge separation at the P3HT/water interface 
2016Comparison of the impact of zinc vacancies on charge separation and charge transfer at ZnO/sexithienyl and ZnO/fullerene interfaces 
2016Work function reduction by a redox-active organometallic sandwich complex 
2016Spectroscopy and control of near-surface defects in conductive thin film ZnO 
2016Effect of molecular packing and charge delocalization on the nonradiative recombination of charge‐transfer states in organic solar cells 
2016Strain effects on the work function of an organic semiconductor 
2016Phosphonic acids for interfacial engineering of transparent conductive oxides 
2015Erratum to “Automatic processing of taxonomic and thematic relations in semantic priming—Differentiation by early N400 and late frontal negativity”[Neuropsychologia 64 (2014 … 
2015Electronic structure of the perylene–zinc oxide interface: Computational study of photoinduced electron transfer and impact of surface defects 
2014Transparent conducting oxides of relevance to organic electronics: Electronic structures of their interfaces with organic layers 
2014Defect‐Driven Interfacial Electronic Structures at an Organic/Metal‐Oxide Semiconductor Heterojunction 
2014Modification of the Gallium‐Doped Zinc Oxide Surface with Self‐Assembled Monolayers of Phosphonic Acids: A Joint Theoretical and Experimental Study 
2014Electronic structure at the interface between rubrene and perylenediimide single crystals: Impact of interfacial charge transfer and its modulation 
2014Impact of Functionalized Polystyrenes as the Electron Injection Layer on Gold and Aluminum Surfaces: A Combined Theoretical and Experimental Study 
2014Tailoring Electron‐Transfer Barriers for Zinc Oxide/C60 Fullerene Interfaces 
2013Interface Dipole at Metallic Surfaces Covered by Methylthiolated and Perfluoromethylthiolated Self-Assembled Monolayers: Influence of the Basis set and Decomposition Scheme 
2013Orientation of phenylphosphonic acid self-assembled monolayers on a transparent conductive oxide: a combined NEXAFS, PM-IRRAS, and DFT study 
2013Electronic-structure theory of organic semiconductors: charge-transport parameters and metal/organic interfaces 
2013Work‐Function Modification of Au and Ag Surfaces upon Deposition of Self‐Assembled Monolayers: Influence of the Choice of the Theoretical Approach and the Thiol Decomposition … 
2013Competing effects of fluorination on the orientation of aromatic and aliphatic phosphonic acid monolayers on indium tin oxide 
2013Nature of the Interfaces Between Stoichiometric and Under‐Stoichiometric MoO3 and 4, 4′‐N, N′‐dicarbazole‐biphenyl: A Combined Theoretical and Experimental Study 
2012Synthesis, experimental and theoretical characterization, and field-effect transistor properties of a new class of dibenzothiophene derivatives: From linear to cyclic architectures 
2012A universal method to produce low–work function electrodes for organic electronics 
2012Zinc oxide as a model transparent conducting oxide: a theoretical and experimental study of the impact of hydroxylation, vacancies, interstitials, and extrinsic doping on the … 
2012Oriented Growth of Al2O3: ZnO Nanolaminates for Use as Electron‐Selective Electrodes in Inverted Polymer Solar Cells 
2012Binding modes of fluorinated benzylphosphonic acids on the polar ZnO surface and impact on work function 
2012Surface Modification of Indium‐Tin‐Oxide Via Self‐Assembly of a Donor‐Acceptor Complex: A Density Functional Theory Study 
2012Silver-decorated cylindrical nanopores: combining the third dimension with chemical enhancement for efficient trace chemical detection with SERS 
2011Mono-and dicarbonyl-bridged tricyclic heterocyclic acceptors: synthesis and electronic properties 
2010Theoretical study of the surface modification of indium tin oxide with trifluorophenyl phosphonic acid molecules: impact of coverage density and binding geometry 
2009Electronic structure of the pentacene–gold interface: A density-functional theory study 
2009Modification of the surface properties of indium tin oxide with benzylphosphonic acids: A joint experimental and theoretical study 
2009Electronic structure of self-assembled (fluoro) methylthiol monolayers on the Au (1 1 1) surface: Impact of fluorination and coverage density 
2008Ab initio Evaluation of the Charge-Transfer Integrals and Band Structures of Phenanthroline-based Molecular Crystals 
2008Analysis of charge transport path ways in disordered organic conductors 
2008Simulating charge transport in tris (8-hydroxyquinoline) aluminium (Alq 3) 
2007First-principles theoretical investigation of the electronic couplings in single crystals of phenanthroline-based organic semiconductors 
2005Modeling the local structure and energetics of protozeolitic nanoclusters in hydrothermally stable aluminosilicate mesostructures 
2004Condensed Matter: Electronic Properties, etc.-Theoretical Study of Encapsulated Alkali Metal Atoms in Nanoporous Channels of ITQ-4 Zeolite: One-Dimensional Metals and Inorganic … 
2004Theoretical study of encapsulated alkali metal atoms in nanoporous channels of ITQ-4 zeolite: One-dimensional metals and inorganic electrides 
2003Theoretical study of electronic structures of bi2te3/sb2te3 superlattices 
2003First-principles calculation of electronic structures and hyperfine interactions for muonium centers in ZnO 
2003Theoretical studies of Electronic Structures and Optical Absorptions of Encapsulated Guest Alkali Metal Atoms in ITQ-4 Zeolite 
2003Electronic structure of complex bismuth chalcogenide systems 
2003Electronic structure and effective mass anisotropy of (Bi_2Te_3)_m(Sb_2Te_3)n multilayers 
1995Analytical study of the thermodynamic behavior of an antiferromagnetic Heisenberg model