Professor Sean Smith

Department	Materials Physics
Research group
Email
Office	Cockcroft 4 49
Webpage	http://materialsdesignlab.org/

Publications

Journal article

Gao L, Sun T, Tan X, Liu M, Xue F, Wang B, Zhang J, Lu Y, Ma C, Tian H, Yang S, Smith S
Trace doping of early transition metal enabled efficient and durable oxygen reduction catalysis on Pt-based ultrathin nanowires
Applied Catalysis B: Environmental 303(2022) 9

Gao L, Yang Z, Sun T, Tan X, Lai W, Li M, Kim J, Lu Y, Choi S, Zhang W, Ma C, Smith S
Autocatalytic Surface Reduction-Assisted Synthesis of PtW Ultrathin Alloy Nanowires for Highly Efficient Hydrogen Evolution Reaction
Advanced Energy Materials 12, 11(2022) 1-10

Koenig D, Hiller D, Smith S
Absorption and Photoluminescence of Silicon Nanocrystals Investigated by Excited State DFT: Role of Embedding Dielectric and Defects
Physica Status Solidi. B: Basic Research 259, 6(2022) 17

Poerwoprajitno A, Gloag L, Watt J, Cheong S, Tan X, Lei H, Tahini H, Henson A, Subhash B, Bedford N, Miller B, O'Mara P, Smith S
A single-Pt-atom-on-Ru-nanoparticle electrocatalyst for CO-resilient methanol oxidation
Nature Catalysis 5, 3(2022) 231-237

Ren W, Tan X, Jia C, Krammer A, Sun Q, Qu J, Smith S, Schueler A, Hu X, Zhao C
Electronic Regulation of Nickel Single Atoms by Confined Nickel Nanoparticles for Energy-Efficient CO2 Electroreduction
Angewandte Chemie International Edition 61, 26(2022) 5

Tahini H, Tan X, Smith S
Activating Inert MXenes for Hydrogen Evolution Reaction via Anchored Metal Centers
Advanced Theory and Simulations 5(2022) 1-5

Toe C, Lamers M, Dittrich T, Tahini H, Smith S, Scott J, Amal R, van de Krol R, Abdi F, Ng Y
Facet-dependent carrier dynamics of cuprous oxide regulating the photocatalytic hydrogen generation
Materials Advances 3, 4(2022) 2200-2212

Wu K, Liu Y, Tan X, Liu Y, Lin Y, Huang X, Ding Y, Su B, Zhang B, Chen J, Yan W, Smith S
Regulating electron transfer over asymmetric low-spin Co(II) for highly selective electrocatalysis
Chem Catalysis 2, 2(2022) 372-385

Zhao Y, Kumar P, Tan X, Lu X, Zhu X, Jiang J, Pan J, Xi S, Yang H, Ma Z, Wan T, Smith S
Modulating Pt-O-Pt atomic clusters with isolated cobalt atoms for enhanced hydrogen evolution catalysis
Nature Communications 13, 1(2022)

DeLuca S, Treny J, Chen F, Seal P, Stenzel M, Smith S
Enhancing Cationic Drug Delivery with Polymeric Carriers: The Coulomb-pH Switch Approach
Advanced Theory and Simulations 4, 2(2021)

Guo J, Gao L, Tan X, Yuan Y, Kim J, Wang Y, Wang H, Zeng Y, Choi S, Smith S, Huang H
Template-Directed Rapid Synthesis of Pd-Based Ultrathin Porous Intermetallic Nanosheets for Efficient Oxygen Reduction
Angewandte Chemie International Edition 60, 19(2021) 10942Ã?Â¢Ã¢?Â¬Ã¢??10949

Hiller D, Koenig D, Nagel P, Merz M, Schuppler S, Smith S
On the Location of Boron in SiO2-Embedded Si Nanocrystals - An X-ray Absorption Spectroscopy and Density Functional Theory Study
Physica Status Solidi. B: Basic Research 258, 7(2021)

Jia C, Tan X, Zhao Y, Ren W, Li Y, Su Z, Smith S, Zhao C
Sulfur-Dopant-Promoted Electroreduction of CO2 over Coordinatively Unsaturated Ni-N-2 Moieties
Angewandte Chemie International Edition 60, 43(2021) 23342-23348

Ju L, Tan X, Mao X, Gu Y, Smith S, Du A, Chen Z, Chen C, Kou L
Controllable CO2 electrocatalytic reduction via ferroelectric switching on single atom anchored In2Se3 monolayer
Nature Communications 12, 1(2021) 1-10

Koenig D, Frentzen M, Wilck N, Berghoff B, Píš I, Nappini S, Bondino F, Müller M, Gonzalez S, Di Santo G, Petaccia L, Smith S
Turning Low-Nanoscale Intrinsic Silicon Highly Electron-Conductive by SiO2 Coating
ACS Applied Materials and Interfaces 13, 17(2021) 20479Ã?Â¢Ã¢?Â¬Ã¢??20488

Lu P, Tan X, Zhao H, Xiang Q, Liu K, Zhao X, Yin X, Li X, Hai X, Xi S, Wee A, Yu X, Pennycook S, Smith S, Yin Z
Atomically Dispersed Indium Sites for Selective CO2 Electroreduction to Formic Acid
ACS Nano 15, 3(2021) 5671Ã?Â¢Ã¢?Â¬Ã¢??5678

Ren W, Tan X, Qu J, Li S, Li J, Liu X, Ringer S, Cairney J, Wang K, Smith S, Zhao C
Isolated copper-tin atomic interfaces tuning electrocatalytic CO2 conversion
Nature Communications 12, 1(2021)

She S, Zhu Y, Tahini H, Hu Z, Weng S, Wu X, Chen Y, Guan D, Song Y, Dai J, Smith S, Wang H, Zhou W, Shao Z
A molecular-level strategy to boost the mass transport of perovskite electrocatalyst for enhanced oxygen evolution
Applied Physics Reviews 8, 1(2021)

Tan X, Tahini H, Smith S
Unveiling the role of carbon oxidation in irreversible degradation of atomically-dispersed FeN4 moieties for proton exchange membrane fuel cells
Journal of Materials Chemistry A 9, 13(2021) 8721-8729

Tan X, Tahini H, Smith S
Defect Engineering in Graphene-Confined Single-Atom Iron Catalysts for Room-Temperature Methane Conversion
Journal of Physical Chemistry C 125, 23(2021) 12628-12635

Tan X, Tanwar K, Rahman M, Mateti S, Cizek P, Koley P, Hou C, Smith S, Chen Y
Lithium-metal polysulfide batteries with free-standing MoSxCy thin-film cathodes
Journal of Power Sources 511(2021) 1-8

Tan X, Tanwar K, Smith S, Chen Y
Huge lithium storage in 2D bilayer structures with point defects
Journal of Physical Chemistry C 125, 43(2021) 23597-23603

Yu B, Fan Y, Mateti S, Kim D, Zhao C, Lu S, Liu X, Rong Q, Tao T, Tanwar K, Tan X, Smith S, Chen Y
An ultra-long-life flexible lithium?sulfur battery with lithium cloth anode and polysulfone-functionalized separator
ACS Nano 15(2021) 1358-1369

Zhang L, Jiao S, Tan X, Yuan Y, Xiang Y, Zeng Y, Qiu J, Peng P, Smith S, Huang H
Theory-guided construction of electron-deficient sites via removal of lattice oxygen for the boosted electrocatalytic synthesis of ammonia
Nano Research 14, 5(2021) 1457-1464

Zhu X, Tan X, Wu K, Haw S, Pao C, Su B, Jiang J, Smith S, Chen J, Amal R, Lu X
Intrinsic ORR Activity Enhancement of Pt Atomic Sites by Engineering the d-Band Center via Local Coordination Tuning
Angewandte Chemie International Edition 60, 40(2021) 21911-21917

Zhu Y, Tahini H, Zhou J, Chen Y, Lin Q, Hu Z, Fan R, She S, Lin H, Chen C, Smith S, Shao Z
Tailored Brownmillerite Oxide Catalyst with Multiple Electronic Functionalities Enables Ultrafast Water Oxidation
Chemistry of Materials 33(2021) 5233-5241

Cui Y, Tan X, Xiao K, Zhao S, Bedford N, Liu Y, Wang Z, Wu K, Pan J, Saputera W, Cheong S, Tilley R, Smith S, Yun J, Dai L, Amal R, Wang D
Tungsten Oxide/Carbide Surface Heterojunction Catalyst with High Hydrogen Evolution Activity
ACS Energy Letters 5, 11(2020) 3560-3568

Dai J, Zhu Y, Tahini H, Lin Q, Chen Y, Guan D, Zhou C, Hu Z, Lin H, Chan T, Chen C, Smith S, Wang H, Zhou W, Shao Z
Single-phase perovskite oxide with super-exchange induced atomic-scale synergistic active centers enables ultrafast hydrogen evolution
Nature Communications 11, 1(2020) 10

DeLuca S, Seal P, Parekh H, Tupally K, Smith S
Cell Membrane Penetration without Pore Formation: Chameleonic Properties of Dendrimers in Response to Hydrophobic and Hydrophilic Environments
Advanced Theory and Simulations 3, 7(2020)

Koenig D, Tilley R, Smith S
Design guidelines for transition metals as interstitial emitters in silicon nanocrystals to tune photoluminescence properties: Zinc as biocompatible example
Nanoscale 37(2020) 19340-19349

Koenig D, Yao Y, Puthen-Veettil B, Smith S
Non-equilibrium dynamics, materials and structures for hot carrier solar cells: a detailed review
Semiconductor Science and Technology 35, 7(2020)

Li Y, Tan X, Hocking R, Bo X, Ren H, Johannessen B, Smith S, Zhao C
Implanting Ni-O-VOx sites into Cu-doped Ni for low-overpotential alkaline hydrogen evolution
Nature Communications 11, 1(2020)

Li Y, Tan X, Tan H, Ren H, Chen S, Yang W, Smith S, Zhao C
Phosphine vapor-assisted construction of heterostructured Ni2P/NiTe2 catalysts for efficient hydrogen evolution
Energy and Environmental Science 13(2020) 1799-1807

Li Y, Tan X, Yang W, Bo X, Su Z, Zhao T, Smith S, Zhao C
Vanadium Oxide Clusters Decorated Metallic Cobalt Catalyst for Active Alkaline Hydrogen Evolution
Cell Reports Physical Science 1, 12(2020)

Ren W, Tan X, Chen X, Zhang G, Zhao K, Yang W, Jia C, Zhao Y, Smith S, Zhao C
Confinement of Ionic Liquids at Single-Ni-Sites Boost Electroreduction of CO2 in Aqueous Electrolytes
ACS Catalysis 10, 22(2020) 13171-13178

Shang J, Tang X, Tan X, Du A, Liao T, Smith S, Gu Y, Li C, Kou L
Stacking-Dependent Interlayer Magnetic Coupling in 2D CrI3/CrGeTe3 Nanostructures for Spintronics
ACS Applied Nano Materials 3, 2(2020) 1282-1288

Tahini H, Tan X, Smith S
Facile CO Oxidation on Oxygen-functionalized MXenes via the Mars-van Krevelen Mechanism
ChemCatChem 12, 4(2020) 1007-1012

Zhang Q, Tan X, Bedford N, Han Z, Thomsen L, Smith S, Amal R, Lu X
Direct insights into the role of epoxy groups on cobalt sites for acidic H2O2 production
Nature Communications 11, 4181(2020) 1-11

Zhao Y, Tan X, Yang W, Jia C, Chen X, Ren W, Smith S, Zhao C
Surface Reconstruction of Ultrathin Palladium Nanosheets during Electrocatalytic CO2 Reduction
Angewandte Chemie International Edition 59, 48(2020) 21493-21498

Zhu Y, She S, Tahini H, Wu X, Guan D, Chen Y, Dai J, Chen Y, Tang W, Smith S, Wang H, Zhou W, Shao Z
Efficient Water Splitting Actualized through an Electrochemistry-Induced Hetero-Structured Antiperovskite/(Oxy)Hydroxide Hybrid
Small 16, 51(2020) 1-10

Zhu Y, Tahini H, Hu Z, Yin Y, Lin Q, Sun H, Zhong Y, Chen Y, Zhang F, Lin H, Chen C, Zhou W, Zhang X, Smith S, Shao Z, Wang H
Boosting oxygen evolution reaction by activation of lattice?oxygen sites in layered Ruddlesden?Popper oxide
EcoMat 2, 2(2020)

Dai J, Zhu Y, Yin Y, Tahini H, Guan D, Dong F, Lu Q, Smith S, Zhang X, Wang H, Zhou W, Shao Z
Super-Exchange Interaction Induced Overall Optimization in Ferromagnetic Perovskite Oxides Enables Ultrafast Water Oxidation
Small 15, 39(2019) 1-11

Daiyan R, Lu X, Tan X, Zhu X, Chen R, Smith S, Amal R
Antipoisoning Nickel-Carbon Electrocatalyst for Practical Electrochemical CO2 Reduction to CO
ACS Applied Energy Materials 2, 11(2019) 8002-8009

Jin C, Shang J, Tang X, Tan X, Smith S, Niu C, Dai Y, Kou L
Enhanced stability and stacking dependent magnetic/electronic properties of 2D monolayer FeTiO3 on a Ti2CO2 substrate
Journal of Materials Chemistry C: materials for optical and electronic devices 7, 48(2019) 15308-15314

Jin C, Tang X, Tan X, Smith S, Dai Y, Kou L
A Janus MoSSe monolayer: a superior and strain-sensitive gas sensing material
Journal of Materials Chemistry A 7, 3(2019) 1099-1106

Konig D, Smith S
Analytical description of nanowires. I. Regular cross sections for zincblende and diamond structures
Acta Crystallographica Section B: Structural Science 75(2019) 788-802

Konig D, Wilck N, Hiller D, Berghoff B, Meledin A, Di Santo G, Petaccia L, Mayer J, Smith S, Knoch J
Electronic Structure Shift of Deeply Nanoscale Silicon by SiO2 versus Si3N4 Embedding as an Alternative to Impurity Doping
Physical Review Applied 12, 5(2019) 1-19

Konig D, Yao Y, Smith S
Bridge- and Double-Bonded O and NH on Fully OH- and NH 2 -Terminated Silicon Nanocrystals: Ground and Excited State Properties
Physica Status Solidi. B: Basic Research 256, 5(2019)

Li X, Tan X, Xue Q, Smith S
Charge-controlled switchable H2 storage on conductive borophene nanosheet
International Journal of Hydrogen Energy 44, 36(2019) 20150-20157

Li Y, Tan X, Chen S, Bo X, Ren H, Smith S, Zhao C
Processable Surface Modification of Nickel-Heteroatom (N, S) Bridge Sites for Promoted Alkaline Hydrogen Evolution
Angewandte Chemie International Edition 58, 2(2019) 461-466

Lu X, Tan X, Zhang Q, Daiyan R, Pan J, Chen R, Tahini H, Wang D, Smith S, Amal R
Versatile electrocatalytic processes realized by Ni, Co and Fe alloyed core coordinated carbon shells
Journal of Materials Chemistry A 7, 19(2019) 12154-12165

Ren W, Tan X, Yang W, Jia C, Xu S, Wang K, Smith S, Zhao C
Isolated Diatomic Ni-Fe Metal-Nitrogen Sites for Synergistic Electroreduction of CO2
Angewandte Chemie International Edition 58, 21(2019) 6972-6976

Saputera W, Tahini H, Lovell E, Tan T, Rawal A, Aguey-Zinsou K, Friedmann D, Smith S, Amal R, Scott J
Cooperative defect-enriched SiO2 for oxygen activation and organic dehydrogenation
Journal of Catalysis 376(2019) 168-179

Saputera W, Tahini H, Sabsabi M, Tan T, Bedford N, Lovell E, Cui Y, Hart J, Friedmann D, Smith S, Amal R, Scott J
Light-Induced Synergistic Multidefect Sites on TiO2/SiO2 Composites for Catalytic Dehydrogenation
ACS Catalysis 9, 3(2019) 2674-2684

Seal P, Xu J, De Luca S, Boyer C, Smith S
Unraveling Photocatalytic Mechanism and Selectivity in PET-RAFT Polymerization
Advanced Theory and Simulations 2, 6(2019) 1-12

Tahini H, Tan X, Smith S
Unraveling the Factors Behind the Efficiency of Hydrogen Evolution in Endohedrally Doped C-60 Structures via Ab Initio Calculations and Insights from Machine Learning Models
Advanced Theory and Simulations 2, 3(2019) 1-5

Tahini H, Tan X, Smith S
Computational Materials Science: Discovering and Accelerating Future Technologies
Advanced Theory and Simulations 2, 3(2019)

Tan X, Tahini H, Smith S
Understanding the high activity of mildly reduced graphene oxide electrocatalysts in oxygen reduction to hydrogen peroxide
Materials Horizons 6, 7(2019) 1409-1415

Tan X, Tahini H, Arandiyan H, Smith S
Electrocatalytic Reduction of Carbon Dioxide to Methane on Single Transition Metal Atoms Supported on a Defective Boron Nitride Monolayer: First Principle Study
Advanced Theory and Simulations 2, 3(2019) 1-8

Wong S, Zhao J, Cao C, Wong C, Kuchel R, De Luca S, Hook J, Garvey C, Smith S, Ho J, Stenzel M
Just add sugar for carbohydrate induced self-assembly of curcumin
Nature Communications 10, 0(2019)

Wu K, Huang X, Tahini H, Kappen P, Huang R, Tan X, Jang L, Ding Y, Smith S, Qi W, Gentle I, Su D, Amal R, Wang D
Oxygen Electrocatalysis at MnIII-O x-C Hybrid Heterojunction: An Electronic Synergy or Cooperative Catalysis?
ACS Applied Materials and Interfaces 11, 1(2019) 706-713

Zhao W, Zhang L, Luo Q, Hu Z, Zhang W, Smith S, Yang J
Single Mo 1 (Cr 1 ) Atom on Nitrogen-Doped Graphene Enables Highly Selective Electroreduction of Nitrogen into Ammonia
ACS Catalysis 9, 4(2019) 3419-3425

Zhu X, Tan X, Wu K, Chiang C, Lin Y, Lin Y, Wang D, Smith S, Lu X, Amal R
N,P co-coordinated Fe species embedded in carbon hollow spheres for oxygen electrocatalysis
Journal of Materials Chemistry A 7, 24(2019) 14732-14742

Zhu Y, Tahini H, Hu Z, Dai J, Chen Y, Sun H, Zhou W, Liu M, Smith S, Wang H, Shao Z
Unusual synergistic effect in layered Ruddlesden - Popper oxide enables ultrafast hydrogen evolution
Nature Communications 10, 149(2019) 1-9

Zhu Y, Tahini H, Hu Z, Chen Z, Zhou W, Komarek A, Lin Q, Lin H, Chen C, Zhong Y, Fern?ndez-D?az M, Smith S, Wang H, Liu M, Shao Z
Boosting Oxygen Evolution Reaction by Creating Both Metal Ion and Lattice‐Oxygen Active Sites in a Complex Oxide
Advanced Materials 1905025(2019) 8

Zhu Y, Tahini H, Wang Y, Lin Q, Liang Y, Doherty C, Liu Y, Li X, Lu J, Smith S, Selomulya C, Zhang X
Pyrite-type ruthenium disulfide with tunable disorder and defects enables ultra-efficient overall water splitting
Journal of Materials Chemistry A 7, 23(2019) 14222-14232

Daiyan R, Tan X, Rui C, Saputera W, Tahini H, Lovell E, Ng Y, Smith S, Dai L, Lu X, Amal R
Electroreduction of CO2 to CO on a Mesoporous Carbon Catalyst with Progressively Removed Nitrogen Moieties
ACS Energy Letters 3, 9(2018) 2292-2298

Konig D, Hiller D, Smith S
Si O2 Modulation Doping for Si: Acceptor Candidates
Physical Review Applied 10, 5(2018) 1-12

Konig D, Hiller D, Wilck N, Berghoff B, Müller M, Thakur S, Di Santo G, Petaccia L, Mayer J, Smith S, Knoch J
Intrinsic ultrasmall nanoscale silicon turns n-/p-type with SiO2/Si3N4-coating
Beilstein Journal of Nanotechnology 9(2018) 2255-2264

Tahini H, Tan X, Smith S
Fermi Level Determination for Charged Systems via Recursive Density of States Integration
Journal of Physical Chemistry Letters 9, 14(2018) 4014-4019

Saputera W, Scott J, Tahini H, Low G, Tan X, Smith S, Wang D, Amal R
Light, Catalyst, Activation: Boosting Catalytic Oxy
ACS Catalysis 7, 5(2017) 3644-3653

Tahini H, Tan X, Smith S
The origin of low workfunctions in OH terminated MXenes
Nanoscale 9, 21(2017) 7016-7020

Tahini H, Tan X, Schwingenschlögl U, Smith S
In Operando Self-Healing of Perovskite Electrocatalysts: A Case Study of SrCoO3 for the Oxygen Evolution Reaction
Particle and Particle Systems Characterization 34, 4(2017)

Tahini H, Tan X, Zhou W, Zhu Z, Schwingenschlögl U, Smith S
Sc and Nb dopants in SrCoO3 modulate electronic and vacancy structures for improved water splitting and SOFC cathodes
Energy Storage Materials 9(2017) 229-234

Tan X, Tahini H, Smith S
Borophene as a Promising Material for Charge-Modulated Switchable CO2 capture
ACS Applied Materials and Interfaces 9, 23(2017) 19825-19830

Tan X, Tahini H, Smith S
Charge-modulated CO2 capture
Current Opinion in ELectrochemistry 4, 1(2017) 118-123

Tan X, Tahini H, Smith S
Computational design of two-dimensional nanomaterials for charge modulated CO2/H2 capture and/or storage
Energy Storage Materials 8(2017) 169-183

Wang Y, Arandiyan H, Tahini H, Scott J, Tan X, Dai H, Gale J, Rohl A, Smith S, Amal R
The controlled disassembly of mesostructured perovskites as an avenue to fabricating high performance nanohybrid catalysts
Nature Communications 8(2017) 1-7

Tahini H, Tan X, Schwingenschlögl U, Smith S
Formation and Migration of Oxygen Vacancies in SrCoO3 and Their Effect on Oxygen Evolution Reactions
ACS Catalysis 6, 8(2016) 5565-5570

Tan X, Kou L, Tahini H, Smith S
Charge-modulated permeability and selectivity in graphdiyne for hydrogen purification
Molecular Simulation 42, 6-7(2016) 573-579

Tan X, Tahini H, Smith S
Conductive Boron-Doped Graphene as an Ideal Material for Electrocatalytically Switchable and High-Capacity Hydrogen Storage
ACS Applied Materials and Interfaces 8, 48(2016) 32815-32822

Tan X, Tahini H, Smith S
Materials design for electrocatalytic carbon capture
APL Materials 4, 5(2016) 1-9

Tan X, Tahini H, Smith S
P-Doped Graphene/Graphitic Carbon Nitride Hybrid Electrocatalysts: Unraveling Charge Transfer Mechanisms for Enhanced Hydrogen Evolution Reaction Performance
ACS Catalysis 6, 10(2016) 7071-7077

Tan X, Tahini H, Smith S
Hexagonal boron nitride and graphene in-plane heterostructures: An experimentally feasible approach to charge-induced switchable CO2 capture
Chemical Physics 478(2016) 139-144

Tan X, Tahini H, Seal P, Smith S
First-Principle Framework for Total Charging Energies in Electrocatalytic Materials and Charge-Responsive Molecular Binding at Gas-Surface Interfaces
ACS Applied Materials and Interfaces 8, 17(2016) 10897-10903

(85 publications)