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“Surface modification of titanium carbide MXene monolayers (Ti₂C and Ti₃C₂) via chalcogenide and halogenide atoms”. Faraji M, Bafekry A, Fadlallah MM, Molaei F, Hieu NN, Qian P, Ghergherehchi M, Gogova D, Physical Chemistry Chemical Physics 23, 15319 (2021). http://doi.org/10.1039/D1CP01788H
Abstract: Inspired by the recent successful growth of Ti2C and Ti3C2 monolayers, here, we investigate the structural, electronic, and mechanical properties of functionalized Ti2C and Ti3C2 monolayers by means of density functional theory calculations. The results reveal that monolayers of Ti2C and Ti3C2 are dynamically stable metals. Phonon band dispersion calculations demonstrate that two-surface functionalization of Ti2C and Ti(3)C(2)via chalcogenides (S, Se, and Te), halides (F, Cl, Br, and I), and oxygen atoms results in dynamically stable novel functionalized monolayer materials. Electronic band dispersions and density of states calculations reveal that all functionalized monolayer structures preserve the metallic nature of both Ti2C and Ti3C2 except Ti2C-O-2, which possesses the behavior of an indirect semiconductor via full-surface oxygen passivation. In addition, it is shown that although halide passivated Ti3C2 structures are still metallic, there exist multiple Dirac-like cones around the Fermi energy level, which indicates that semi-metallic behavior can be obtained upon external effects by tuning the energy of the Dirac cones. In addition, the computed linear-elastic parameters prove that functionalization is a powerful tool in tuning the mechanical properties of stiff monolayers of bare Ti2C and Ti3C2. Our study discloses that the electronic and structural properties of Ti2C and Ti3C2 MXene monolayers are suitable for surface modification, which is highly desirable for material property engineering and device integration.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 4.123
DOI: 10.1039/D1CP01788H
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“Two-dimensional Janus semiconductor BiTeCl and BiTeBr monolayers : a first-principles study on their tunable electronic properties via an electric field and mechanical strain”. Bafekry A, Karbasizadeh S, Stampfl C, Faraji M, Hoat DM, Sarsari IA, Feghhi SAH, Ghergherehchi M, Physical Chemistry Chemical Physics 23, 15216 (2021). http://doi.org/10.1039/D1CP01368H
Abstract: Motivated by the recent successful synthesis of highly crystalline ultrathin BiTeCl and BiTeBr layered sheets [Debarati Hajra et al., ACS Nano, 2020, 14, 15626], herein for the first time, we carry out a comprehensive study on the structural and electronic properties of BiTeCl and BiTeBr Janus monolayers using density functional theory (DFT) calculations. Different structural and electronic parameters including the lattice constant, bond lengths, layer thickness in the z-direction, different interatomic angles, work function, charge density difference, cohesive energy and Rashba coefficients are determined to acquire a deep understanding of these monolayers. The calculations show good stability of the studied single layers. BiTeCl and BiTeBr monolayers are semiconductors with electronic bandgaps of 0.83 and 0.80 eV, respectively. The results also show that the semiconductor-metal transformation can be induced by increasing the number of layers. In addition, the engineering of the electronic structure is also studied by applying an electric field, and mechanical uniaxial and biaxial strain. The results show a significant change of the bandgaps and that an indirect-direct band-gap transition can be induced. This study highlights the positive prospect for the application of BiTeCl and BiTeBr layered sheets in novel electronic and energy conversion systems.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 4.123
DOI: 10.1039/D1CP01368H
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“Exploring machine learning methods for absolute configuration determination with vibrational circular dichroism”. Vermeyen T, Brence J, Van Echelpoel R, Aerts R, Acke G, Bultinck P, Herrebout W, Physical Chemistry Chemical Physics 23, 19781 (2021). http://doi.org/10.1039/D1CP02428K
Abstract: The added value of supervised Machine Learning (ML) methods to determine the Absolute Configuration (AC) of compounds from their Vibrational Circular Dichroism (VCD) spectra was explored. Among all ML methods considered, Random Forest (RF) and Feedforward Neural Network (FNN) yield the best performance for identification of the AC. At its best, FNN allows near-perfect AC determination, with accuracy of prediction up to 0.995, while RF combines good predictive accuracy (up to 0.940) with the ability to identify the spectral areas important for the identification of the AC. No loss in performance of either model is observed as long as the spectral sampling interval used does not exceed the spectral bandwidth. Increasing the sampling interval proves to be the best method to lower the dimensionality of the input data, thereby decreasing the computational cost associated with the training of the models.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Molecular Spectroscopy (MolSpec)
Impact Factor: 4.123
DOI: 10.1039/D1CP02428K
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“Strong anisotropic optical properties of 8-Pmmn borophene : a many-body perturbation study”. Nazar ND, Vazifehshenas T, Ebrahimi MR, Peeters FM, Physical Chemistry Chemical Physics 23, 16417 (2021). http://doi.org/10.1039/D1CP01910D
Abstract: Using first-principles many-body perturbation theory, we investigate the optical properties of 8-Pmmn borophene at two levels of approximations; the GW method considering only the electron-electron interaction and the GW in combination with the Bethe-Salpeter equation including electron-hole coupling. The band structure exhibits anisotropic Dirac cones with semimetallic character. The optical absorption spectra are obtained for different light polarizations and we predict strong optical absorbance anisotropy. The absorption peaks undergo a global redshift when the electron-hole interaction is taken into account due to the formation of bound excitons which have an anisotropic excitonic wave function.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 4.123
Times cited: 4
DOI: 10.1039/D1CP01910D
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“Vibrational and optical identification of GeO₂, and GeO single layers : a first-principles study”. Sozen Y, Yagmurcukardes M, Sahin H, Physical Chemistry Chemical Physics 23, 21307 (2021). http://doi.org/10.1039/D1CP02299G
Abstract: In the present work, the identification of two hexagonal phases of germanium oxides (namely GeO2 and GeO) through the vibrational and optical properties is reported using density functional theory calculations. While structural optimizations show that single-layer GeO2 and GeO crystallize in 1T and buckled phases, phonon band dispersions reveal the dynamical stability of each structure. First-order off-resonant Raman spectral predictions demonstrate that each free-standing single-layer possesses characteristic peaks that are representative for the identification of the germanium oxide phase. On the other hand, electronic band dispersion analysis shows the insulating and large-gap semiconducting nature of single-layer GeO2 and GeO, respectively. Moreover, optical absorption, reflectance, and transmittance spectra obtained by means of G(0)W(0)-BSE calculations reveal the existence of tightly bound excitons in each phase, displaying strong optical absorption. Furthermore, the excitonic gaps are found to be at deep UV and visible portions of the spectrum, for GeO2 and GeO crystals, with energies of 6.24 and 3.10 eV, respectively. In addition, at the prominent excitonic resonances, single-layers display high reflectivity with a zero transmittance, which is another indication of the strong light-matter interaction inside the crystal medium.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 4.123
DOI: 10.1039/D1CP02299G
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“Novel two-dimensional AlSb and InSb monolayers with a double-layer honeycomb structure : a first-principles study”. Bafekry A, Faraji M, Fadlallah MM, Jappor HR, Karbasizadeh S, Ghergherehchi M, Sarsari IA, Ziabari AA, Physical Chemistry Chemical Physics 23, 18752 (2021). http://doi.org/10.1039/D1CP02590B
Abstract: In this work, motivated by the fabrication of an AlSb monolayer, we have focused on the electronic, mechanical and optical properties of AlSb and InSb monolayers with double-layer honeycomb structures, employing the density functional theory approach. The phonon band structure and cohesive energy confirm the stability of the XSb (X = Al and In) monolayers. The mechanical properties reveal that the XSb monolayers have a brittle nature. Using the GGA + SOC (HSE + SOC) functionals, the bandgap of the AlSb monolayer is predicted to be direct, while InSb has a metallic character using both functionals. We find that XSb (X = Al, In) two-dimensional bodies can absorb ultraviolet light. The present findings suggest several applications of AlSb and InSb monolayers in novel optical and electronic usages.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 4.123
DOI: 10.1039/D1CP02590B
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“Stability of adsorption of Mg and Na on sulfur-functionalized MXenes”. Chaney G, Cakir D, Peeters FM, Ataca C, Physical Chemistry Chemical Physics 23, 25424 (2021). http://doi.org/10.1039/D1CP03433B
Abstract: Two-dimensional materials composed of transition metal carbides and nitrides (MXenes) are poised to revolutionize energy conversion and storage. In this work, we used density functional theory (DFT) to investigate the adsorption of Mg and Na adatoms on five M2CS2 monolayers (where M = Mo, Nb, Ti, V, and Zr) for battery applications. We assessed the stability of the adatom (i.e. Na and Mg)-monolayer systems by calculating adsorption and formation energies, as well as voltages as a function of surface coverage. For instance, we found that Mo2CS2 cannot support a full layer of Na nor even a single Mg atom. Na and Mg exhibit the strongest binding on Zr2CS2, followed by Ti2CS2, Nb2CS2 and V2CS2. Using the nudged elastic band method (NEB), we computed promising diffusion barriers for both dilute and nearly full ion surface coverage cases. In the dilute ion adsorption case, a single Mg and Na atom on Ti2CS2 experience similar to 0.47 eV and similar to 0.10 eV diffusion barriers between the lowest energy sites, respectively. For a nearly full surface coverage, a Na ion moving on Ti2CS2 experiences a similar to 0.33 eV energy barrier, implying a concentration-dependent diffusion barrier. Our molecular dynamics results indicate that the three (one) layers (layer) of the Mg (Na) ion on both surfaces of Ti2CS2 remain stable at T = 300 K. While, according to voltage calculations, Zr2CS2 can store Na up to three atomic layers, our MD simulations predict that the outermost layers detach from the Zr2CS2 monolayer due to the weak interaction between Na ions and the monolayer. This suggests that MD simulations are essential to confirm the stability of an ion-electrode system – an insight that is mostly absent in previous studies.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 4.123
Times cited: 7
DOI: 10.1039/D1CP03433B
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“Nucleation rates from small scale atomistic simulations and transition state theory”. Bal KM, Journal Of Chemical Physics 155, 144111 (2021). http://doi.org/10.1063/5.0063398
Abstract: The evaluation of nucleation rates from molecular dynamics trajectories is hampered by the slow nucleation time scale and impact of finite size effects. Here, we show that accurate nucleation rates can be obtained in a very general fashion relying only on the free energy barrier, transition state theory, and a simple dynamical correction for diffusive recrossing. In this setup, the time scale problem is overcome by using enhanced sampling methods, in casu metadynamics, whereas the impact of finite size effects can be naturally circumvented by reconstructing the free energy surface from an appropriate ensemble. Approximations from classical nucleation theory are avoided. We demonstrate the accuracy of the approach by calculating macroscopic rates of droplet nucleation from argon vapor, spanning 16 orders of magnitude and in excellent agreement with literature results, all from simulations of very small (512 atom) systems.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.965
DOI: 10.1063/5.0063398
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“First principles assessment of the phase stability and transition mechanisms of designated crystal structures of pristine and Janus transition metal dichalcogenides”. Demirkol Ö, Sevik C, Demiroğlu I, Physical chemistry, chemical physics 24, 7430 (2022). http://doi.org/10.1039/D1CP05642E
Abstract: Two-dimensional Transition Metal Dichalcogenides (TMDs) possessing extraordinary physical properties at reduced dimensionality have attracted interest due to their promise in electronic and optical device applications. However, TMD monolayers can show a broad range of different properties depending on their crystal phase; for example, H phases are usually semiconductors, while the T phases are metallic. Thus, controlling phase transitions has become critical for device applications. In this study, the energetically low-lying crystal structures of pristine and Janus TMDs are investigated by using ab initio Nudged Elastic Band and molecular dynamics simulations to provide a general explanation for their phase stability and transition properties. Across all materials investigated, the T phase is found to be the least stable and the H phase is the most stable except for WTe2, while the T' and T '' phases change places according to the TMD material. The transition energy barriers are found to be large enough to hint that even the higher energy phases are unlikely to undergo a phase transition to a more stable phase if they can be achieved except for the least stable T phase, which has zero barrier towards the T ' phase. Indeed, in molecular dynamics simulations the thermodynamically least stable T phase transformed into the T ' phase spontaneously while in general no other phase transition was observed up to 2100 K for the other three phases. Thus, the examined T ', T '' and H phases were shown to be mostly stable and do not readily transform into another phase. Furthermore, so-called mixed phase calculations considered in our study explain the experimentally observed lateral hybrid structures and point out that the coexistence of different phases is strongly stable against phase transitions. Indeed, stable complex structures such as metal-semiconductor-metal architectures, which have immense potential to be used in future device applications, are also possible based on our investigation.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.3
DOI: 10.1039/D1CP05642E
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“Extending and validating bubble nucleation rate predictions in a Lennard-Jones fluid with enhanced sampling methods and transition state theory”. Bal KM, Neyts EC, Journal Of Chemical Physics 157, 184113 (2022). http://doi.org/10.1063/5.0120136
Abstract: We calculate bubble nucleation rates in a Lennard-Jones fluid through explicit molecular dynamics simulations. Our approach-based on a recent free energy method (dubbed reweighted Jarzynski sampling), transition state theory, and a simple recrossing correction-allows us to probe a fairly wide range of rates in several superheated and cavitation regimes in a consistent manner. Rate predictions from this approach bridge disparate independent literature studies on the same model system. As such, we find that rate predictions based on classical nucleation theory, direct brute force molecular dynamics simulations, and seeding are consistent with our approach and one another. Published rates derived from forward flux sampling simulations are, however, found to be outliers. This study serves two purposes: First, we validate the reliability of common modeling techniques and extrapolation approaches on a paradigmatic problem in materials science and chemical physics. Second, we further test our highly generic recipe for rate calculations, and establish its applicability to nucleation processes.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 4.4
DOI: 10.1063/5.0120136
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“High-throughput analysis of tetragonal transition metal Xenes”. Yorulmaz U, Šabani D, Yagmurcukardes M, Sevik C, Milošević, MV, Physical chemistry, chemical physics 24, 29406 (2022). http://doi.org/10.1039/D2CP04191J
Abstract: We report a high-throughput first-principles characterization of the structural, mechanical, electronic, and vibrational properties of tetragonal single-layer transition metal Xenes (t-TMXs). Our calculations revealed 22 dynamically, mechanically and chemically stable structures among the 96 possible free-standing layers present in the t-TMX family. As a fingerprint for their structural identification, we identified four characteristic Raman active phonon modes, namely three in-plane and one out-of-plane optical branches, with various intensities and frequencies depending on the material in question. Spin-polarized electronic calculations demonstrated that anti-ferromagnetic (AFM) metals, ferromagnetic (FM) metals, AFM semiconductors, and non-magnetic semiconductor materials exist within this family, evidencing the potential of t-TMXs for further use in multifunctional heterostructures.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.3
Times cited: 1
DOI: 10.1039/D2CP04191J
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“Charge transfer and polymer phases in AC60 (A=K, Rb, Cs) fullerides”. Nikolaev AV, Prassides K, Michel KH, The journal of chemical physics 108, 4912 (1998). http://doi.org/10.1063/1.475900
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.965
Times cited: 14
DOI: 10.1063/1.475900
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“Influence of water on the pillaring of montmorillonite with aminopropyltriethoxysilane”. Ahenach J, Cool P, Vansant EF, Lebedev O, van Landuyt J, Physical chemistry, chemical physics 1, 3703 (1999). http://doi.org/10.1039/a901888c
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA)
Impact Factor: 4.123
Times cited: 10
DOI: 10.1039/a901888c
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“Sequence of orientational phase transitions in solid C60”. Michel KH, Chemical physics letters 193, 478 (1992). http://doi.org/10.1016/0009-2614(92)85835-X
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 1.897
Times cited: 14
DOI: 10.1016/0009-2614(92)85835-X
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“Molecular structure and orientational ordering in solid C60”. Michel KH, The journal of chemical physics 97, 5155 (1992). http://doi.org/10.1063/1.463813
Abstract: A microscopic theory, which describes the orientational dynamics of C60 molecules in the face-centered cubic phase of C60-fullerite, is formulated or the case of a complex molecular structure. Interaction centers which comprise atoms, double bonds, and single bonds as molecular constituents contribute to the intermolecular potential. Orientation dependent physical properties are described in terms of symmetry-adapted rotator functions. It is found that a same set of rotator functions is sufficient even in the case of a complex molecular structure. Phase transition temperatures are discussed for various models of molecular structure.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.952
Times cited: 20
DOI: 10.1063/1.463813
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“The structure of different phases of pure C70 crystals”. Verheijen MA, Meekes H, Meijer G, Bennema P, de Boer JL, van Smaalen S, Van Tendeloo G, Amelinckx S, Muto S, van Landuyt J, Chemical physics 166, 287 (1992). http://doi.org/10.1016/0301-0104(92)87026-6
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 1.652
Times cited: 168
DOI: 10.1016/0301-0104(92)87026-6
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“On the structure, stability and infrared spectrum of B2N, B2N+, B2N-, BO, B2O and B2N2”. Martin JML, François JP, Gijbels R, Chemical physics letters 193, 243 (1992). http://doi.org/10.1016/0009-2614(92)85662-T
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 1.897
Times cited: 42
DOI: 10.1016/0009-2614(92)85662-T
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“Valence electronic charge density of distorted C60-monomers in polymerized KC60 and RbC60”. Verberck B, Popov VN, Nikolaev AV, Lamoen D, The journal of chemical physics 121, 321 (2004). http://doi.org/10.1063/1.1755676
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.965
Times cited: 7
DOI: 10.1063/1.1755676
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“Production of short carbon nanotubes with open tips by ball milling”. Pierard N, Fonseca A, Konya Z, Willems I, Van Tendeloo G, Nagy JB, Chemical physics letters 335, 1 (2001). http://doi.org/10.1016/S0009-2614(01)00004-5
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 1.815
Times cited: 203
DOI: 10.1016/S0009-2614(01)00004-5
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“Characterization of single-wall carbon nanotubes produced by CCVD method”. Colomer J-F, Benoit J-M, Stephan C, Lefrant S, Van Tendeloo G, Nagy JB, Chemical physics letters 345, 11 (2001). http://doi.org/10.1016/S0009-2614(01)00841-7
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 1.815
Times cited: 45
DOI: 10.1016/S0009-2614(01)00841-7
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“Bulk production of multi-wall carbon nanotube bundles on sol-gel prepared catalyst”. Ning Y, Zhang X, Wang Y, Sun Y, Shen L, Yang X, Van Tendeloo G, Chemical physics letters 366, 555 (2002). http://doi.org/10.1016/S0009-2614(02)01647-0
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 1.815
Times cited: 41
DOI: 10.1016/S0009-2614(02)01647-0
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“Cu(OH)2 nanowires, CuO nanowires and CuO nanobelts”. Du GH, Van Tendeloo G, Chemical physics letters 393, 64 (2004). http://doi.org/10.1016/j.cplett.2004.06.017
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 1.815
Times cited: 145
DOI: 10.1016/j.cplett.2004.06.017
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“Influence of internal energy and impact angle on the sticking behaviour of reactive radicals in thin a-C:H film growth: a molecular dynamics study”. Neyts E, Bogaerts A, Physical chemistry, chemical physics 8, 2066 (2006). http://doi.org/10.1039/b517563a
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 4.123
Times cited: 7
DOI: 10.1039/b517563a
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“The structure, energetics, and harmonic vibrations of B3N”. Slanina Z, Martin JML, François JP, Gijbels R, Chemical physics letters 201, 54 (1993). http://doi.org/10.1016/0009-2614(93)85033-K
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 1.897
Times cited: 20
DOI: 10.1016/0009-2614(93)85033-K
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“On the relative stabilities of the linear and triangular forms of B3N”. Slanina Z, Martin JML, François JP, Gijbels R, Chemical physics 178, 77 (1993). http://doi.org/10.1016/0301-0104(93)85052-A
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 1.652
Times cited: 9
DOI: 10.1016/0301-0104(93)85052-A
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“Superposition of quantum and classical rotational motions in Sc2C2@C84 fullerite”. Michel KH, Verberck B, Hulman M, Kuzmany H, Krause M, The journal of chemical physics 126, 064304 (2007). http://doi.org/10.1063/1.2434175
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.965
Times cited: 14
DOI: 10.1063/1.2434175
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“Decorating carbon nanotubes with nickel nanoparticles”. Bittencourt C, Felten A, Ghijsen J, Pireaux J-J, Drube W, Erni R, Van Tendeloo G, Chemical physics letters 436, 368 (2007). http://doi.org/10.1016/j.cplett.2007.01.065
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 1.815
Times cited: 78
DOI: 10.1016/j.cplett.2007.01.065
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“Silica-supported chromium oxide: colloids as building blocks”. Hermans I, Breynaert E, Poelman H, de Gryse R, Liang D, Van Tendeloo G, Maes A, Peeters J, Jacobs P, Physical chemistry, chemical physics 9, 5382 (2007). http://doi.org/10.1039/b706601e
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 4.123
Times cited: 8
DOI: 10.1039/b706601e
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“Structure and infrared spectroscopy of the C11 molecule”. Martin JML, François JP, Gijbels R, Almlöf J, Chemical physics letters 187, 367 (1991). http://doi.org/10.1016/0009-2614(91)80267-2
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 1.897
Times cited: 42
DOI: 10.1016/0009-2614(91)80267-2
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“Platinumcarbon nanotube interaction”. Bittencourt C, Hecq M, Felten A, Pireaux JJ, Ghijsen J, Felicissimo MP, Rudolf P, Drube W, Ke X, Van Tendeloo G, Chemical physics letters 462, 260 (2008). http://doi.org/10.1016/j.cplett.2008.07.082
Abstract: The interaction between evaporated Pt and pristine or oxygen-plasma-treated multiwall carbon nanotubes (CNTs) is investigated. Pt is found to nucleate at defect sites, whether initially present or introduced by oxygen plasma treatment. The plasma treatment induces a uniform dispersion of Pt nanoparticles at the CNT surface. The absence of additional features in the C 1s core level spectrum indicates that no mixed PtC phase is formed. The formation of COPt bonds at the cluster-CNT interface is suggested to reduce the electronic interaction between Pt nanoparticles and the CNT surface.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 1.815
Times cited: 62
DOI: 10.1016/j.cplett.2008.07.082
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