Two-Dimensional Platinum Telluride with Ordered Te Vacancy Superlattice for Efficient and Robust Hydrogen Evolution

Defect engineering to activate the basal planes of transition metal dichalcogenides (TMDs) is critical for the development of TMD-based electrocatalysts as the chemical inertness of basal planes restrict their potential applications in hydrogen evolution reaction (HER). Here, we report the synthesis and evaluation of few-layer (7x7)-PtTe2-x with an ordered, well-defined and high-density Te vacancy superlattice. Compared with pristine PtTe2, (2x2)-PtTe2-x and Pt(111), (7x7)-PtTe2-x exhibits superior HER activities in both acidic and alkaline electrolytes due to its rich structures of undercoordinated Pt sites. Furthermore, the (7x7)-PtTe2-x sample features outstanding catalytic stability even compared to the state-of-the-art Pt/C catalyst. Theoretical calculations reveal that the interactions between various undercoordinated Pt sites due to proximity effect can provide superior undercoordinated Pt sites for hydrogen adsorption and water dissociation. This work will enrich the understanding of the relationship between defect structures and electrocatalytic activities and provide a promising route to develop efficient Pt-based TMD electrocatalysts.

[1]  Yahuan Huan,et al.  Controllable Growth and Defect Engineering of Vertical PtSe2 Nanosheets for Electrocatalytic Hydrogen Evolution , 2022, ACS Energy Letters.

[2]  A. Krasheninnikov,et al.  Controlling Stoichiometry in Ultrathin van der Waals Films: PtTe2, Pt2Te3, Pt3Te4, and Pt2Te2. , 2022, ACS nano.

[3]  Arramel,et al.  MBE-grown ultrathin PtTe2 films and their layer-dependent electronic structures. , 2022, Nanoscale.

[4]  Yanguang Li,et al.  Frenkel-defected monolayer MoS2 catalysts for efficient hydrogen evolution , 2022, Nature Communications.

[5]  L. Wan,et al.  Synergistic Electrocatalysts for Alkaline Hydrogen Oxidation and Evolution Reactions , 2021, Advanced Functional Materials.

[6]  A. Krasheninnikov,et al.  Layer-Dependent Band Gaps of Platinum Dichalcogenides , 2021, ACS Nano.

[7]  L. Hammer,et al.  New submonolayer copper telluride phase on Cu(111) -- ad-chain and trough formation , 2021, 2107.12726.

[8]  Shuxiang Wu,et al.  Mid-Infrared Photodetection of Type-II Dirac Semimetal 1T-PtTe2 Grown by Molecular Beam Epitaxy. , 2021, ACS applied materials & interfaces.

[9]  T. Zhai,et al.  Single MoTe2 sheet electrocatalytic microdevice for in situ revealing the activated basal plane sites by vacancies engineering , 2021, Nano Research.

[10]  S. Pennycook,et al.  Ordered clustering of single atomic Te vacancies in atomically thin PtTe2 promotes hydrogen evolution catalysis , 2021, Nature Communications.

[11]  D. Suh,et al.  Patterning of type-II Dirac semimetal PtTe2 for optimized interface of tellurene optoelectronic device , 2021 .

[12]  D. Zemlyanov,et al.  Epitaxial growth of monolayer PdTe2 and patterned PtTe2 by direct tellurization of Pd and Pt surfaces , 2021, 2D Materials.

[13]  Zhen Liu,et al.  Bimetal zeolite imidazolate framework derived Mo0.84Ni0.16-Mo2C@NC nanosphere for overall water splitting in alkaline solution. , 2021, Journal of colloid and interface science.

[14]  C. Sow,et al.  Electrochemically Exfoliated Platinum Dichalcogenide Atomic Layers for High-Performance Air-Stable Infrared Photodetectors. , 2021, ACS applied materials & interfaces.

[15]  Zhipeng Liu,et al.  Boosted hydrogen evolution reaction based on synergistic effect of RuO2@MoS2 hybrid electrocatalyst , 2021 .

[16]  Jiung Cho,et al.  Mitrofanovite, Layered Platinum Telluride, for Active Hydrogen Evolution. , 2020, ACS applied materials & interfaces.

[17]  H. Korri-Youssoufi,et al.  Phase transition from Au–Te surface alloy towards tellurene-like monolayer , 2020, 2D Materials.

[18]  Sean C. Smith,et al.  Single-phase perovskite oxide with super-exchange induced atomic-scale synergistic active centers enables ultrafast hydrogen evolution , 2020, Nature Communications.

[19]  Yuting Luo,et al.  Modulating Electronic Structure of Monolayer Transition Metal Dichalcogenides by Substitutional Nb‐Doping , 2020, Advanced Functional Materials.

[20]  W. Duan,et al.  Growth of large scale PtTe, PtTe2 and PtSe2 films on a wide range of substrates , 2020, Nano Research.

[21]  Dehui Deng,et al.  Boosting hydrogen evolution on MoS2 via co-confining selenium in surface and cobalt in inner layer , 2020, Nature Communications.

[22]  Ying Dai,et al.  Prediction of intrinsic electrocatalytic activity for hydrogen evolution reaction in Ti4X3 (X = C, N) , 2020 .

[23]  Zhen Liu,et al.  Co-doped 1T′/T phase dominated MoS1+XSe1+Y alloy nanosheets as bifunctional electrocatalyst for overall water splitting , 2020 .

[24]  S. Lau,et al.  Infrared Nano-Imaging of Surface Plasmons in Type-II Dirac Semimetal PtTe2 Nanoribbons. , 2020, ACS nano.

[25]  Hua Zhang,et al.  Ag@MoS2 Core-Shell Heterostructure as SERS Platform to Reveal the Hydrogen Evolution Active Sites of Single-layer MoS2. , 2020, Journal of the American Chemical Society.

[26]  Congli He,et al.  High Spin Hall Conductivity in Large‐Area Type‐II Dirac Semimetal PtTe2 , 2020, Advanced materials.

[27]  L. Hammer,et al.  Orbital-Driven Rashba Effect in a Binary Honeycomb Monolayer AgTe. , 2019, Physical review letters.

[28]  Xi‐Wen Du,et al.  A silver catalyst activated by stacking faults for the hydrogen evolution reaction , 2019, Nature Catalysis.

[29]  Vei Wang,et al.  VASPKIT: A user-friendly interface facilitating high-throughput computing and analysis using VASP code , 2019, Comput. Phys. Commun..

[30]  William R. Smith,et al.  Revisiting the Role of Active Sites for Hydrogen Evolution Reaction through Precise Defect Adjusting , 2019, Advanced Functional Materials.

[31]  M. Bechelany,et al.  Role of Sulfur Vacancies and Undercoordinated Mo Regions in MoS2 Nanosheets toward the Evolution of Hydrogen. , 2019, ACS nano.

[32]  S. Luo,et al.  Engineering MoS2 nanomesh with holes and lattice defects for highly active hydrogen evolution reaction , 2018, Applied Catalysis B: Environmental.

[33]  A. Agarwal,et al.  3D Dirac Plasmons in the Type-II Dirac Semimetal PtTe_{2}. , 2018, Physical review letters.

[34]  A. Krasheninnikov,et al.  Metallic Twin Boundaries Boost the Hydrogen Evolution Reaction on the Basal Plane of Molybdenum Selenotellurides , 2018 .

[35]  X. Duan,et al.  Thickness-Tunable Synthesis of Ultrathin Type-II Dirac Semimetal PtTe2 Single Crystals and Their Thickness-Dependent Electronic Properties. , 2018, Nano letters.

[36]  Junfa Zhu,et al.  Tailoring the d-Band Centers Enables Co4 N Nanosheets To Be Highly Active for Hydrogen Evolution Catalysis. , 2018, Angewandte Chemie.

[37]  L. Gu,et al.  Preparation of High‐Percentage 1T‐Phase Transition Metal Dichalcogenide Nanodots for Electrochemical Hydrogen Evolution , 2018, Advanced materials.

[38]  Yongye Liang,et al.  Nickel Hydr(oxy)oxide Nanoparticles on Metallic MoS2 Nanosheets: A Synergistic Electrocatalyst for Hydrogen Evolution Reaction , 2017, Advanced science.

[39]  S. Lau,et al.  Tunable active edge sites in PtSe2 films towards hydrogen evolution reaction , 2017 .

[40]  M. Pumera,et al.  Layered Noble Metal Dichalcogenides: Tailoring Electrochemical and Catalytic Properties. , 2017, ACS applied materials & interfaces.

[41]  H. Alshareef,et al.  Active Edge Sites Engineering in Nickel Cobalt Selenide Solid Solutions for Highly Efficient Hydrogen Evolution , 2017 .

[42]  Jun-Ho Lee,et al.  Active hydrogen evolution through lattice distortion in metallic MoTe2 , 2017 .

[43]  M. Paulsson,et al.  Analysis of STM images with pure and CO-functionalized tips: A first-principles and experimental study , 2017, 1703.07883.

[44]  Xiaochun Huang,et al.  Epitaxial Growth and Band Structure of Te Film on Graphene. , 2017, Nano letters.

[45]  W. Duan,et al.  Lorentz-violating type-II Dirac fermions in transition metal dichalcogenide PtTe2 , 2016, Nature Communications.

[46]  M. Kraft,et al.  Metal-Free Carbonaceous Electrocatalysts and Photocatalysts for Water Splitting , 2016 .

[47]  Martin Pumera,et al.  Layered Platinum Dichalcogenides (PtS2, PtSe2, and PtTe2) Electrocatalysis: Monotonic Dependence on the Chalcogen Size , 2016 .

[48]  Anthony Kucernak,et al.  General Models for the Electrochemical Hydrogen Oxidation and Hydrogen Evolution Reactions: Theoretical Derivation and Experimental Results under Near Mass-Transport Free Conditions , 2016 .

[49]  Yanguang Li,et al.  Recent advances in heterogeneous electrocatalysts for the hydrogen evolution reaction , 2015 .

[50]  Xile Hu,et al.  Nanostructured hydrotreating catalysts for electrochemical hydrogen evolution. , 2014, Chemical Society reviews.

[51]  Ioannis Katsounaros,et al.  Oxygen electrochemistry as a cornerstone for sustainable energy conversion. , 2014, Angewandte Chemie.

[52]  Fei Meng,et al.  Enhanced hydrogen evolution catalysis from chemically exfoliated metallic MoS2 nanosheets. , 2013, Journal of the American Chemical Society.

[53]  James R. McKone,et al.  Hydrogen evolution from Pt/Ru-coated p-type WSe2 photocathodes. , 2013, Journal of the American Chemical Society.

[54]  V. Stamenkovic,et al.  Enhancing Hydrogen Evolution Activity in Water Splitting by Tailoring Li+-Ni(OH)2-Pt Interfaces , 2011, Science.

[55]  Stefan Grimme,et al.  Effect of the damping function in dispersion corrected density functional theory , 2011, J. Comput. Chem..

[56]  D. Bowler,et al.  Van der Waals density functionals applied to solids , 2011, 1102.1358.

[57]  Thomas Bligaard,et al.  Density functional theory in surface chemistry and catalysis , 2011, Proceedings of the National Academy of Sciences.

[58]  B. Kolawole.  International nurse migration to Canada: are we missing the bigger picture? , 2010, Nursing leadership.

[59]  S. Grimme,et al.  A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu. , 2010, The Journal of chemical physics.

[60]  F. Ribeiro,et al.  Density Functional Theory Comparison of Water Dissociation Steps on Cu, Au, Ni, Pd, and Pt , 2009 .

[61]  Thomas F. Jaramillo,et al.  Identification of Active Edge Sites for Electrochemical H2 Evolution from MoS2 Nanocatalysts , 2007, Science.

[62]  J. Gómez‐Herrero,et al.  WSXM: a software for scanning probe microscopy and a tool for nanotechnology. , 2007, The Review of scientific instruments.

[63]  J. Nørskov,et al.  The electronic structure effect in heterogeneous catalysis , 2005 .

[64]  Thomas Bligaard,et al.  Trends in the exchange current for hydrogen evolution , 2005 .

[65]  B. V. Tilak,et al.  Interfacial processes involving electrocatalytic evolution and oxidation of H2, and the role of chemisorbed H , 2002 .

[66]  G. Henkelman,et al.  A climbing image nudged elastic band method for finding saddle points and minimum energy paths , 2000 .

[67]  Burke,et al.  Generalized Gradient Approximation Made Simple. , 1996, Physical review letters.

[68]  Kresse,et al.  Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. , 1996, Physical review. B, Condensed matter.

[69]  G. Kresse,et al.  Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set , 1996 .

[70]  Blöchl,et al.  Projector augmented-wave method. , 1994, Physical review. B, Condensed matter.

[71]  Hamann,et al.  Theory of the scanning tunneling microscope. , 1985, Physical review. B, Condensed matter.

[72]  S. Noda,et al.  Layered 2D PtX2 (X= S, Se, Te) for Electrocatalytic HER in Comparison with Mo/WX2 and Pt/C: Are We Missing the Bigger Picture? , 2022, Energy & Environmental Science.

[73]  Charlie Tsai,et al.  Activating and optimizing MoS2 basal planes for hydrogen evolution through the formation of strained sulphur vacancies. , 2016, Nature materials.