Computational Discovery and Design of MXenes for Energy Applications: Status, Successes, and Opportunities.
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Weiwei Sun | Cheng Zhan | Yu Xie | Paul R C Kent | P. Kent | Yu Xie | D. Jiang | De-En Jiang | Weiwei Sun | Cheng Zhan
[1] Y. Gogotsi,et al. Computational Screening of MXene Electrodes for Pseudocapacitive Energy Storage , 2018, The Journal of Physical Chemistry C.
[2] X. Bao,et al. Alkalized Ti3C2 MXene nanoribbons with expanded interlayer spacing for high-capacity sodium and potassium ion batteries , 2017 .
[3] Yang-Xin Yu,et al. Possibility of bare and functionalized niobium carbide MXenes for electrode materials of supercapacitors and field emitters , 2017 .
[4] Liang Dong,et al. Rational Design of Two-Dimensional Metallic and Semiconducting Spintronic Materials Based on Ordered Double-Transition-Metal MXenes. , 2017, The journal of physical chemistry letters.
[5] Yujie Sun,et al. Bifunctionality and Mechanism of Electrodeposited Nickel–Phosphorous Films for Efficient Overall Water Splitting , 2016 .
[6] A. Du,et al. 2D MXenes: A New Family of Promising Catalysts for the Hydrogen Evolution Reaction , 2017 .
[7] Zhenbin Wang,et al. Mining Unexplored Chemistries for Phosphors for High-Color-Quality White-Light-Emitting Diodes , 2018 .
[8] Qinghua Wu,et al. Structural Transformation of MXene (V2C, Cr2C, and Ta2C) with O Groups during Lithiation: A First-Principles Investigation. , 2016, ACS applied materials & interfaces.
[9] Yeliang Wang,et al. Buckled Germanene Formation on Pt(111) , 2014, Advanced materials.
[10] Fei Meng,et al. Enhanced hydrogen evolution catalysis from chemically exfoliated metallic MoS2 nanosheets. , 2013, Journal of the American Chemical Society.
[11] Jiaguo Yu,et al. 2D/2D Heterojunction of Ultrathin MXene/Bi2WO6 Nanosheets for Improved Photocatalytic CO2 Reduction , 2018 .
[12] Hanna Enriquez,et al. Epitaxial growth of a silicene sheet , 2010, 1204.0523.
[13] Chao Zhang,et al. High-Capacitance Mechanism for Ti3C2Tx MXene by in Situ Electrochemical Raman Spectroscopy Investigation. , 2016, ACS nano.
[14] Yury Gogotsi,et al. Chemical vapour deposition: Transition metal carbides go 2D. , 2015, Nature materials.
[15] M. Barsoum,et al. Two-dimensional Mo1.33C MXene with divacancy ordering prepared from parent 3D laminate with in-plane chemical ordering , 2017, Nature Communications.
[16] Xin Zhang,et al. Computational Screening of 2D Materials and Rational Design of Heterojunctions for Water Splitting Photocatalysts , 2018 .
[17] H. Vrubel,et al. Molybdenum boride and carbide catalyze hydrogen evolution in both acidic and basic solutions. , 2012, Angewandte Chemie.
[18] Muratahan Aykol,et al. The Open Quantum Materials Database (OQMD): assessing the accuracy of DFT formation energies , 2015 .
[19] Zhen Zhou,et al. MXene-based materials for electrochemical energy storage , 2018 .
[20] Xiujian Zhao,et al. Understanding of Electrochemical Mechanisms for CO2 Capture and Conversion into Hydrocarbon Fuels in Transition-Metal Carbides (MXenes). , 2017, ACS nano.
[21] Peter Moeck,et al. Crystallography Open Database (COD): an open-access collection of crystal structures and platform for world-wide collaboration , 2011, Nucleic Acids Res..
[22] Pierre-Louis Taberna,et al. MXene: a promising transition metal carbide anode for lithium-ion batteries , 2012 .
[23] Jun Lu,et al. Theoretical and Experimental Exploration of a Novel In-Plane Chemically Ordered (Cr2/3M1/3)2AlC i-MAX Phase with M = Sc and Y , 2017 .
[24] Ridwan Sakidja,et al. A genomic approach to the stability, elastic, and electronic properties of the MAX phases , 2014 .
[25] Yury Gogotsi,et al. Cation Intercalation and High Volumetric Capacitance of Two-Dimensional Titanium Carbide , 2013, Science.
[26] Marco Buongiorno Nardelli,et al. The high-throughput highway to computational materials design. , 2013, Nature materials.
[27] J. Jensen,et al. Transition metal carbides (WC, Mo2C, TaC, NbC) as potential electrocatalysts for the hydrogen evolution reaction (HER) at medium temperatures , 2015 .
[28] S. Curtarolo,et al. AFLOW: An automatic framework for high-throughput materials discovery , 2012, 1308.5715.
[29] Yury Gogotsi,et al. Prediction and characterization of MXene nanosheet anodes for non-lithium-ion batteries. , 2014, ACS nano.
[30] M. Barsoum,et al. Synthesis of Two-Dimensional Nb1.33C (MXene) with Randomly Distributed Vacancies by Etching of the Quaternary Solid Solution (Nb2/3Sc1/3)2AlC MAX Phase , 2018, ACS Applied Nano Materials.
[31] Soo Min Hwang,et al. Generalized self-assembly of scalable two-dimensional transition metal oxide nanosheets , 2014, Nature Communications.
[32] S. Stankovich,et al. Synthesis of graphene-based nanosheets via chemical reduction of exfoliated graphite oxide , 2007 .
[33] R. Hennig,et al. Computational characterization of lightweight multilayer MXene Li-ion battery anodes , 2016 .
[34] Guochun Yang,et al. TiC3 Monolayer with High Specific Capacity for Sodium-Ion Batteries. , 2018, Journal of the American Chemical Society.
[35] Chang E. Ren,et al. Flexible and conductive MXene films and nanocomposites with high capacitance , 2014, Proceedings of the National Academy of Sciences.
[36] A. Frenkel,et al. Hydrogen-evolution catalysts based on non-noble metal nickel-molybdenum nitride nanosheets. , 2012, Angewandte Chemie.
[37] Yao Zheng,et al. Hydrogen evolution by a metal-free electrocatalyst , 2014, Nature Communications.
[38] Mark C. Hersam,et al. Synthesis and chemistry of elemental 2D materials , 2017 .
[39] Yury Gogotsi,et al. 25th Anniversary Article: MXenes: A New Family of Two‐Dimensional Materials , 2014, Advanced materials.
[40] A. V. van Duin,et al. In situ atomistic insight into the growth mechanisms of single layer 2D transition metal carbides , 2018, Nature Communications.
[41] Guosong Hong,et al. MoS2 nanoparticles grown on graphene: an advanced catalyst for the hydrogen evolution reaction. , 2011, Journal of the American Chemical Society.
[42] Julia Fernandez-Rodriguez,et al. High‐Performance Ultrathin Flexible Solid‐State Supercapacitors Based on Solution Processable Mo1.33C MXene and PEDOT:PSS , 2018 .
[43] Bingxin Wang,et al. Carbon dioxide adsorption of two-dimensional carbide MXenes , 2018, Journal of Advanced Ceramics.
[44] Q. Peng,et al. Self-Reduction Synthesis of New MXene/Ag Composites with Unexpected Electrocatalytic Activity , 2016 .
[45] V. Presser,et al. Two‐Dimensional Nanocrystals Produced by Exfoliation of Ti3AlC2 , 2011, Advanced materials.
[46] Yujie Sun,et al. Electrodeposited cobalt-phosphorous-derived films as competent bifunctional catalysts for overall water splitting. , 2015, Angewandte Chemie.
[47] Yury Gogotsi,et al. High-Throughput Survey of Ordering Configurations in MXene Alloys Across Compositions and Temperatures. , 2017, ACS nano.
[48] Artem R. Oganov,et al. Synthesis of borophenes: Anisotropic, two-dimensional boron polymorphs , 2015, Science.
[49] S. Qiao,et al. Surface and Interface Engineering of Noble-Metal-Free Electrocatalysts for Efficient Energy Conversion Processes. , 2017, Accounts of chemical research.
[50] Y. Shao-horn,et al. Synthesis and Activities of Rutile IrO2 and RuO2 Nanoparticles for Oxygen Evolution in Acid and Alkaline Solutions. , 2012, The journal of physical chemistry letters.
[51] Rampi Ramprasad,et al. Machine Learning Force Fields: Construction, Validation, and Outlook , 2016, 1610.02098.
[52] N. Lewis. Toward Cost-Effective Solar Energy Use , 2007, Science.
[53] D. Aurbach,et al. Direct Assessment of Nanoconfined Water in 2D Ti3C2 Electrode Interspaces by a Surface Acoustic Technique. , 2018, Journal of the American Chemical Society.
[54] M. Islam,et al. Ion intercalation into two-dimensional transition-metal carbides: global screening for new high-capacity battery materials. , 2014, Journal of the American Chemical Society.
[55] W. Kang,et al. Manipulation of electronic and magnetic properties of M$_2$C (M=Hf, Nb, Sc, Ta, Ti, V, Zr) monolayer by applying mechanical strains , 2014, 1401.6259.
[56] John A. Turner,et al. Sustainable Hydrogen Production , 2004, Science.
[57] Yury Gogotsi,et al. Amine‐Assisted Delamination of Nb2C MXene for Li‐Ion Energy Storage Devices , 2015, Advanced materials.
[58] Ekin D. Cubuk,et al. Representations in neural network based empirical potentials. , 2017, The Journal of chemical physics.
[59] Czech Republic,et al. Learning physical descriptors for materials science by compressed sensing , 2016, 1612.04285.
[60] Jianjun Jiang,et al. Charging/Discharging Dynamics in Two-Dimensional Titanium Carbide (MXene) Slit Nanopore: Insights from molecular dynamic study , 2016 .
[61] Peng Chen,et al. Boosting the Photocatalytic Ability of Cu2O Nanowires for CO2 Conversion by MXene Quantum Dots , 2018, Advanced Functional Materials.
[62] Yoshiyuki Kawazoe,et al. Novel Electronic and Magnetic Properties of Two‐Dimensional Transition Metal Carbides and Nitrides , 2013 .
[63] Qing Hua Wang,et al. Electronics and optoelectronics of two-dimensional transition metal dichalcogenides. , 2012, Nature nanotechnology.
[64] A. Yamada,et al. Sodium-Ion Intercalation Mechanism in MXene Nanosheets. , 2016, ACS nano.
[65] Yury Gogotsi,et al. Porous Two‐Dimensional Transition Metal Carbide (MXene) Flakes for High‐Performance Li‐Ion Storage , 2016 .
[66] Y. Nie,et al. An extraordinarily stable catalyst: Pt NPs supported on two-dimensional Ti3C2X2 (X = OH, F) nanosheets for oxygen reduction reaction. , 2013, Chemical communications.
[67] Robert Tibshirani,et al. The Elements of Statistical Learning , 2001 .
[68] Philippe Sonnet,et al. Continuous germanene layer on Al(111). , 2015, Nano letters.
[69] Lai-fei Cheng,et al. MXene Nanofibers as Highly Active Catalysts for Hydrogen Evolution Reaction , 2018, ACS Sustainable Chemistry & Engineering.
[70] Yury Gogotsi,et al. 2D metal carbides and nitrides (MXenes) for energy storage , 2017 .
[71] R. Ruoff,et al. Graphene and Graphene Oxide: Synthesis, Properties, and Applications , 2010, Advanced materials.
[72] B. Pan,et al. Ultrathin MXene nanosheets with rich fluorine termination groups realizing efficient electrocatalytic hydrogen evolution , 2018 .
[73] T. Chen,et al. Hierarchical Cobalt Borate/MXenes Hybrid with Extraordinary Electrocatalytic Performance in Oxygen Evolution Reaction. , 2018, ChemSusChem.
[74] Pierre-Louis Taberna,et al. Ultra-high-rate pseudocapacitive energy storage in two-dimensional transition metal carbides , 2017, Nature Energy.
[75] Majid Beidaghi,et al. Two-Dimensional, Ordered, Double Transition Metals Carbides (MXenes). , 2015, ACS nano.
[76] Liang Dong,et al. Tunable Magnetism and Transport Properties in Nitride MXenes. , 2017, ACS nano.
[77] D. Peeters,et al. Amorphous Cobalt Boride (Co2B) as a Highly Efficient Nonprecious Catalyst for Electrochemical Water Splitting: Oxygen and Hydrogen Evolution , 2016 .
[78] Mietek Jaroniec,et al. Interacting Carbon Nitride and Titanium Carbide Nanosheets for High-Performance Oxygen Evolution. , 2016, Angewandte Chemie.
[79] Hee‐Tae Jung,et al. High mass loading, binder-free MXene anodes for high areal capacity Li-ion batteries , 2015 .
[80] W. Kang,et al. Role of Strain and Concentration on the Li Adsorption and Diffusion Properties on Ti2C Layer , 2014 .
[81] N. Brandon,et al. Preparation of tungsten carbide-supported nano Platinum catalyst and its electrocatalytic activity for hydrogen evolution , 2007 .
[82] Zhen Zhou,et al. High‐throughput computational screening of layered and two‐dimensional materials , 2018, WIREs Computational Molecular Science.
[83] J. Goodenough,et al. Theoretical Study of the Structural Evolution of a Na2FeMn(CN)6 Cathode upon Na Intercalation , 2015, Chemistry of Materials.
[84] Yury Gogotsi,et al. Role of surface structure on Li-ion energy storage capacity of two-dimensional transition-metal carbides. , 2014, Journal of the American Chemical Society.
[85] Chang E. Ren,et al. Porous heterostructured MXene/carbon nanotube composite paper with high volumetric capacity for sodium-based energy storage devices , 2016 .
[86] P. Taberna,et al. Tracking Ionic Rearrangements and Interpreting Dynamic Volumetric Changes in Two-Dimensional Metal Carbide Supercapacitors: A Molecular Dynamics Simulation Study. , 2018, ChemSusChem.
[87] S. Cho,et al. Tunable indirect to direct band gap transition of monolayer Sc₂CO₂ by the strain effect. , 2014, ACS applied materials & interfaces.
[88] G. Qu,et al. Phosphorized MXene-Phase Molybdenum Carbide as an Earth-Abundant Hydrogen Evolution Electrocatalyst , 2018, ACS Applied Energy Materials.
[89] Jun Hu,et al. Phosphorene: Synthesis, Scale-Up, and Quantitative Optical Spectroscopy. , 2015, ACS nano.
[90] Li-zhen Fan,et al. Two-dimensional Ti3C2 as anode material for Li-ion batteries , 2014 .
[91] Xiqian Yu,et al. Probing the Mechanism of High Capacitance in 2D Titanium Carbide Using In Situ X‐Ray Absorption Spectroscopy , 2015 .
[92] Jinlan Wang,et al. Searching for Highly Active Catalysts for Hydrogen Evolution Reaction Based on O-Terminated MXenes through a Simple Descriptor , 2016 .
[93] Yury Gogotsi,et al. Conductive two-dimensional titanium carbide ‘clay’ with high volumetric capacitance , 2014, Nature.
[94] N. Lewis,et al. Powering the planet: Chemical challenges in solar energy utilization , 2006, Proceedings of the National Academy of Sciences.
[95] L. Dai,et al. Nitrogen-doped Ti3C2Tx MXene electrodes for high-performance supercapacitors , 2017 .
[96] Jihan Kim,et al. Metallic Ti3C2Tx MXene Gas Sensors with Ultrahigh Signal-to-Noise Ratio. , 2018, ACS nano.
[97] Jagjit Nanda,et al. Synthesis and Characterization of 2D Molybdenum Carbide (MXene) , 2016 .
[98] Y. Gogotsi,et al. Understanding the MXene Pseudocapacitance. , 2018, The journal of physical chemistry letters.
[99] Yimei Zhu,et al. Highly active and durable nanostructured molybdenum carbide electrocatalysts for hydrogen production , 2013 .
[100] Yury Gogotsi,et al. Pseudocapacitive Electrodes Produced by Oxidant‐Free Polymerization of Pyrrole between the Layers of 2D Titanium Carbide (MXene) , 2016, Advanced materials.
[101] Jinlan Wang,et al. Transition Metal‐Promoted V2CO2 (MXenes): A New and Highly Active Catalyst for Hydrogen Evolution Reaction , 2016, Advanced science.
[102] Hongda Du,et al. Universal Descriptor for Large-Scale Screening of High-Performance MXene-Based Materials for Energy Storage and Conversion , 2018 .
[103] Kristin A. Persson,et al. Commentary: The Materials Project: A materials genome approach to accelerating materials innovation , 2013 .
[104] Lars Hultman,et al. Prediction and synthesis of a family of atomic laminate phases with Kagomé-like and in-plane chemical ordering , 2017, Science Advances.
[105] A. V. van Duin,et al. Effect of Metal Ion Intercalation on the Structure of MXene and Water Dynamics on its Internal Surfaces. , 2016, ACS applied materials & interfaces.
[106] Yury Gogotsi,et al. New two-dimensional niobium and vanadium carbides as promising materials for Li-ion batteries. , 2013, Journal of the American Chemical Society.
[107] Yury Gogotsi,et al. Electronic and Optical Properties of 2D Transition Metal Carbides and Nitrides (MXenes) , 2018, Advanced materials.
[108] S. Du,et al. A Two-Dimensional Zirconium Carbide by Selective Etching of Al3C3 from Nanolaminated Zr3Al3C5. , 2016, Angewandte Chemie.
[109] Qing Tang,et al. Are MXenes promising anode materials for Li ion batteries? Computational studies on electronic properties and Li storage capability of Ti3C2 and Ti3C2X2 (X = F, OH) monolayer. , 2012, Journal of the American Chemical Society.
[110] A. V. van Duin,et al. Discovery of Descriptors for Stable Monolayer Oxide Coatings through Machine Learning , 2018, ACS Applied Energy Materials.
[111] Wu Li,et al. Screening Surface Structure of MXenes by High-Throughput Computation and Vibrational Spectroscopic Confirmation , 2018, The Journal of Physical Chemistry C.
[112] Xin Wang,et al. Boosting the Photocatalytic Activity of P25 for Carbon Dioxide Reduction by using a Surface-Alkalinized Titanium Carbide MXene as Cocatalyst. , 2018, ChemSusChem.
[113] Y. Qian,et al. (Cr2/3Ti1/3)3AlC2 and (Cr5/8Ti3/8)4AlC3: New MAX‐phase Compounds in Ti–Cr–Al–C System , 2014 .
[114] A. Vojvodić,et al. Two-Dimensional Molybdenum Carbide (MXene) as an Efficient Electrocatalyst for Hydrogen Evolution , 2016 .
[115] Jacob Bonde,et al. Biomimetic hydrogen evolution: MoS2 nanoparticles as catalyst for hydrogen evolution. , 2005, Journal of the American Chemical Society.
[116] Wei Chen,et al. The Marriage of the FeN4 Moiety and MXene Boosts Oxygen Reduction Catalysis: Fe 3d Electron Delocalization Matters , 2018, Advanced materials.
[117] W. Goddard,et al. Schottky-Barrier-Free Contacts with Two-Dimensional Semiconductors by Surface-Engineered MXenes. , 2016, Journal of the American Chemical Society.
[118] Swanti Satsangi,et al. Machine-Learning-Assisted Accurate Band Gap Predictions of Functionalized MXene , 2018, Chemistry of Materials.
[119] X. Cui,et al. Synergetic enhancement of oxygen evolution reaction by Ti3C2Tx nanosheets supported amorphous FeOOH quantum dots , 2018, Electrochimica Acta.
[120] R. Hennig,et al. Predicting the Electrochemical Synthesis of 2D Materials from First Principles , 2019, The Journal of Physical Chemistry C.
[121] Jie Zhou,et al. Preparation of High-Purity V2C MXene and Electrochemical Properties as Li-Ion Batteries , 2017 .
[122] Ying Dai,et al. Ab Initio Prediction and Characterization of Mo2C Monolayer as Anodes for Lithium-Ion and Sodium-Ion Batteries. , 2016, The journal of physical chemistry letters.
[123] Shixuan Li,et al. W‐Based Atomic Laminates and Their 2D Derivative W1.33C MXene with Vacancy Ordering , 2018, Advanced materials.
[124] G. Henkelman,et al. Kinetic Monte Carlo Study of Li Intercalation in LiFePO4. , 2018, ACS nano.
[125] R. Hennig,et al. Predicted Surface Composition and Thermodynamic Stability of MXenes in Solution , 2016 .