Effect Of Surface Reconstruction Research Articles

Tuning the adhesion of diamond/copper interfaces through surface chemical modifications and reconstruction

Diamond and diamond-like carbon (DLC) coatings are well-known for their exceptional combination of tribological and mechanical properties, such as low friction coefficients and wear rates, together with high hardness and elastic modulus. A significant limitation in their employment concerns their spallation from the substrate; it is thus interesting to explore how DLCs adhesion can be tuned through chemical modifications of its surfaces. We employ ab initio simulations to study the effect of surface reconstruction and chemical species intercalation (B, P, O, F, N, S, H) on the adhesion of non-reconstructed and Pandey-reconstructed C(111)/Cu(111) interfaces. We found that the increment of graphitization at the diamond surface decreases the adhesion. Moreover, when a high degree of surface graphitization is present the best way to increase adhesion is to select atoms able to act as chemical bridges (e.g., B and N), compensating for the lack of interaction between the surfaces. Conversely, adhesion reduction of ∼100% can be achieved, regardless of the degree of surface graphitization, by intercalating an atomic species that does not bond with the countersurface and prevents the interaction between the slabs, i.e. F and S.

Hydrogen penetration mechanism through C and CH pre-covered Pd(1 0 0) surface: A density functional theory study

This paper investigates the role of carbon-containing impurities (i.e. C, C + H, CH, and CH + H) playing in hydrogen diffusion into Pd(100) subsurface. Energetics and structures for adsorptions and absorptions of hydrogen were explored with variational coverages and locations of adsorbates by density functional theory, and then minimum energy pathways were cautiously searched out by climbing image nudged elastic band method. Surface relaxation and reconstruction effects were also concerned. Quantum simulations reveal that C and CH strongly bond to hollow site and lead to charge density redistribution and structural change of Pd(100) surface, and thus predominantly affect hydrogen penetration behavior.

Effect of Subtle Changes in Ni2+/Ni3+ and Particle Surface Area in LiNi0.5Mn0.5−xCoxO2 (x = 0.1–0.3) Cathode Materials for Lithium-Ion Batteries

In Li[Ni,Mn,Co]O2 (NMC) cathode materials, small changes in transition metal ratio and particle surface area can significantly impact capacity retention. To understand the combined effect of transition metal ratio and the particle surface area, we studied LiNi0.5Mn0.5−xCoxO2 (x = 0.1–0.3) particles with two different morphologies: dense, spherical particles and high-surface area aggregates. All compositions in this series contain the same percentage of Ni but have differing amounts of Ni2+ and Ni3+. While Ni2+ tends to induce anti-site defects predominantly in the bulk, Ni3+ promotes particle surface reconstruction, both of which negatively impact capacity retention. Upon cycling to 4.4 V for 100 cycles, we observe that particles of high surface area with high Ni3+ concentration undergo the most severe capacity degradation. However, high surface area particles with high proportion of anti-site defects undergo sluggish capacity fade. Overall, with 60% of Ni2+ and 40% of Ni3+, spherical NMC 532 particles endure the detrimental effects of anti-site defects and surface reconstruction, but neither too prominently and thus emerges as the best candidate among the studied samples. This study highlights the synergy between transition metal ratio and particle surface area and how it determines the properties of the NMC cathode materials.

The fluctuated structural/electronic properties of SrTiO3 two-dimensional materials caused by surface effects

Perovskite oxide thin films have many astonishing properties, such as multiferroicity, superconductivity, strong correlation, etc, and are closely related to orientations with different symmetry and structural characteristics. Recently, perovskite oxide films with only one unit cell thickness have been synthesized successfully (Ji et al 2019 Nature 570 87–90). Here we investigated the structure and electronic properties of SrTiO3 (STO) two-dimensional (2D) materials with (001), (110), and (111) surfaces. We found that due to surface effects caused atomic distortion fluctuations, the lattice constant and thickness of STO 2D materials with the (110) surface fluctuate sharply with the increase of atomic layers. The band gap of STO 2D materials exhibits oscillation as the number of atomic layers increases, due to the different atomic distortion and surface reconstruction with odd and even atomic layers. The STO 2D materials along (001) surfaces with different atomic layers are always semiconductors. As the atomic layers increasing, the electronic structure of STO 2D materials with (110) or (111) surfaces continuously transitioning between semiconductor and metallic phases, and finally totally become metallic phases, which is closely related to the surface reconstruction effect. The differences between STO 2D materials along the (001) and (110) or (111) surfaces are significant and can be explained by mixed Sr-d, Ti-d, and O-p orbitals. Our studies may provide new insights into the surface effects of perovskite oxide 2D materials.

Electrochemical water splitting enhancement by introducing mesoporous NiCoFe-trimetallic phosphide nanosheets as catalysts for the oxygen evolution reaction.

Transition metal-based catalysts are widely used in electrocatalysis, especially in the field of water splitting, due to their excellent electrochemical performance, which focuses on improving the efficiency of the complex oxygen evolution reaction (OER) that occurs at the anode. Transition metal-based catalysts will undergo electrochemical surface reconstruction and form (oxy)hydroxide-based hybrids, which consider the actual active sites for OER. So many efforts have been made to know the origin of the effect of electrochemical surface reconstruction on the performance of the OER. Herein, NiCoFe-phosphide catalyst nanosheets were constructed by a simple one-step hydrothermal reaction by adding oleylamine and ethanol to water solvent during the preparation of the catalyst precursor and high-temperature gas-phase phosphating and significantly showed high effectiveness catalytic activity and conductivity in comparison to normal and traditional preparation methods. Electrochemical analysis, X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS) and high-resolution transmission electron microscopy (HRTEM) demonstrate that the surface was constructed during the electrochemical reaction and formed an amorphous layer of MOx(OH)y active sites, which increased the electrochemical surface area and promoted charge transfer. As well, the synthesized NiCoFePx-PNSs catalyst nanosheets exhibit excellent catalytic activity with a low overpotential equal to 259 mV to achieve the OER at a current density of 10 mA cm-2 and a low Tafel slope of 50.47 mV dec-1 which is better than for most reported transition metal-based electrocatalysts. This work provides a new design for a transition metal-based catalyst for OER as well as further insights into the effect of electrochemical surface reconstruction on intrinsic activity and OER performance.

Reaction modelling of hydrogen evolution on nickel phosphide catalysts: density functional investigation.

Nickel phosphides (NixPy), particularly Ni2P, are promising catalysts for the acidic hydrogen evolution reaction (HER). Using density functional theory (DFT), we model HER at the potential of zero charge (PZC), incorporating solvation effects via an explicit water cluster and implicit surrounding solvent. Comparing the Volmer, Tafel, and Heyrovsky steps under saturated hydrogen coverage on Ni2P(0001) terminations, we find that the Ni3P2 (pristine) surface termination prefers the Volmer-Volmer-Tafel (VVT) pathway with activation energy (Ea) of 0.57 eV. Conversely, the Ni3P2 + 4P (reconstructed) surface favors the Volmer-Heyrovsky (VH) pathway with Ea = 0.60 eV. For the pristine surface termination, the differential gas-phase hydrogen adsorption free energies (ΔGdiff) correlate with the Volmer and Tafel step reaction energies, and a linear Bell-Evans-Polanyi relationship for the calculated activation and reaction energies validates the usefulness of the ΔGdiff descriptor for the Volmer step under PZC conditions. Nickel atoms play a crucial role in H2 production on both pristine and reconstructed surfaces, suggesting that modifications of the Ni sites can be used for catalyst design. Our findings highlight the importance of considering surface reconstruction and solvation effects on the HER catalytic performance.

Effect of surface reconstruction of SrTiO3(001) on the FeSe thin film growth

We report on a dramatic effect of the surface reconstruction of the substrate on thin film growth. We prepared two types of surface reconstruction, namely 2 × 1 and (√13 × √13)-R33.7° reconstructions, by annealing the SrTiO3(001) substrates in ultrahigh vacuum (UHV) and an oxygen environment, respectively. Subsequent co-depositions of Fe and Se atoms onto the 2 × 1 and (√13 × √13)-R33.7° reconstructed SrTiO3 surfaces lead to the growth of thin films of distinct six-fold and four-fold symmetry, respectively, under nominally the same growth conditions. Based on in-situ angle-resolved photoemission spectroscopy (ARPES) measurements of the electronic structure, we ascribe the aforementioned two types of thin film to the reported hexagonal and tetragonal phases of FeSe, respectively. The observation of the growth of hexagonal FeSe on the tetragonal SrTiO3 surface with a 2 × 1 reconstruction is unexpected, the underlying mechanism of which remains an outstanding puzzle. Our finding adds a new dimension to the material phase control via the choice of surface reconstruction of the substrate used for thin film growth.

Turning danger into opportunity: Ultraviolet (UV) irradiation-surface reconstruction effect of hydrophilic plastics and its application in plastic flotation separation

Plastic flotation shows a good application prospect in the field of waste plastic recycling. Nevertheless, surface reconstruction effect is highly likely to worsen the effect of plastic flotation separation. In order to avoid the fluctuation of plastic flotation separation process, it is urgent to explore the role of environmental factors on the reconstruction of hydrophilic and hydrophobic groups. Among various environmental factors, ultraviolet (UV) irradiation is one of the most important environmental factors affecting surface reconstruction effect. In view of this, in this work, we first used two common plastic modification methods, Fenton aging and polyaluminum chloride (PAC) modification, to hydrophilize six common plastics, namely PS, PVC, ABS, PMMA, PC, and PET. Then we studied the UV irradiation-surface reconstruction effect of hydrophilic plastics using flotation experiments. The results showed that UV irradiation can significantly enhance the surface reconstruction effect of hydrophilic plastics. More importantly, the wettability of plastic surfaces can be regulated by changing lighting conditions. Based on this, a novel UV irradiation-flotation process to separate PVC, ABS, and polyester (PMMA, PC, and PET) was successfully developed in this study. This work not only provides ideas for the further application of plastic flotation technology, but also lays a certain foundation for the development of novel and efficient UV irradiation-flotation processes.

Synergistic effect of surface reconstruction and rGO for FeS2/rGO electrocatalysis with efficient oxygen evolution reaction for water splitting

Exploring highly active and inexpensive electrocatalysts for oxygen evolution is vital but challenging. Herein, a serial of FeS2, FeS and FeS2/rGO electrocatalysts were obtained by simple two-step method. Benefiting from the integration of FeS2 and rGO, the FeS2-450/rGO-10% exhibited the excellent catalytic activity toward OER with an ultra-low overpotential of 140 mV, a smaller Tafel slope of 71 mV/dec and high stability. The improved catalytic performance for OER could attribute to the excellent synergistic effect of the surface reconstruction of FeS2 and the introduction of rGO in FeS2-450/rGO-10% catalyst. Meanwhile, in a two-electrode system of FeS2-450/rGO-10%/NF//Pt/C/NF toward overall water splitting, the voltage at 10 mA cm−2 is only 1.52 mV, which indicates that the FeS2-450/rGO-10% can serve as the anode in practical overall water splitting.

Surface magneto-optics in yttrium iron garnets

We report a study of surface reconstruction effects in yttrium iron garnets using density functional theory. This work responds to the need to explain the physical basis of recent experimental results showing a significant enhancement in Faraday rotation in iron garnets. These materials are extensively used in the telecom industry for nonreciprocal device applications. Understanding the physical basis of the heightened Faraday response at the surface is important for the development of ultrathin nonreciprocal devices. Our results show that the bandgap near the surface is significantly reduced compared to that of the bulk, and that spin-orbit coupling effects become more important near the surface. We find that the decrease in band gap results in an enhancement and change in direction in the Faraday rotation in the visible range all the way to the deep red. Electronic transition matrix elements for surface-sensitive ultra-thin layers are calculated and compared to those of bulk samples, leading to the conclusion that the octahedrally-oxygen-coordinated iron sublattice in these ferrimagnetic materials is more strongly affected by surface reconstruction than the other, anti-ferromagnetically coupled, tetrahedral sublattice. We explain how these changes contribute to the enhancement in magneto-optic response near the surface as compared to the bulk.

Electron and spin transport in an ultrathin Al film

The effects of surface and bulk scattering on electronic and spin transport in aluminum-based ultrathin films are predicted using the Landauer-B\"uttiker formalism and a recursive Green's function technique. The effects of surface roughness, grain boundaries, vacancies, and surface reconstruction on resistivity, spin diffusion length, and Elliott-Yafet constant $\ensuremath{\beta}$ are investigated for a 3.6-nm-thickness Al film. It is demonstrated that for a thin sputtered film, point vacancies are the dominant contribution to the momentum relaxation, and spin relaxation is dominated by the combined effect of surface reconstruction and point vacancies, which yields a reasonable spin diffusion length and the Elliot-Yafet constant. Calculations reveal that the presence of surface corrugations results in a clear departure from Matthiessen's rule and the Elliott-Yafet prediction of $\ensuremath{\beta}$, as shown by introducing random surface corrugations. It is also found that spin diffusion length induced by surface roughness is proportional to the inverse square root of the ratio between root mean square height $\ensuremath{\delta}h$ and lateral correlation length $\ensuremath{\xi}$ of a given rough surface, i.e., ${(\ensuremath{\delta}\ensuremath{\xi})}^{\ensuremath{-}1/2}$ as opposed to ${(\ensuremath{\delta}\ensuremath{\xi})}^{\ensuremath{-}1}$ as is the mean free path; this can be attributed to the interference of extended surface features.

Effect of surface reconstruction induced by different electrochemical methods on hydrogen evolution performance of Ni2P array catalysts

The design and development of electro-catalyts is of importance to the industrial hydrogen production through water splitting. Among various catalysts, nickel-based component has been widely applied due to its excellent catalytic performance. The activity of such catalyst could be improved relative chemical reactions, including Selenization, sulfurization, phosphating and hydroxylation, but their surface structure might be rebuilt, further affecting the catalytic performance. Herein, sheet-like phosphide-based material was synthesized on the nickel foam, and the phenomenon of surface rebuilding was investigated through three different electrochemical methods, chronoamperometry (It) and chronopotentiometry (CP), and Cyclic voltammetry (CV). Results showed the significantly difference in surface morphology due to the utilization of the three electrochemical methods. Crystal component could be completely transferred to amorphous after CP and It, with the reduction of overpotential by 44 and 49 mV respectively. Compared to these two electrochemical methods, CV could enable the occurrence of whole oxidative and reductive reactions on the surface, inducing the formation of heterostructure, crystal NiO and amorphous NiP, on the surface. This structure achieves 58 mV reduction of overpotential, which is 58 mV lower than precursor. And the stability test also showed only 0.08% of attenuation, indicating a better electrochemical performance.

PENGARUH MODIFIKASI PERMUKAAN PISTON (DOME) DENGAN BAHAN BAKAR ETHANOL TERHADAP TORSI DAN DAYA PADA MESIN 4 LANGKAH ASTRO 108CC

Replacing a standard piston with a dome piston can make changes to the performance of a 4 stroke combustion engine, this is due to the change in the compression ratio being larger, thus requiring fuel that contains a high octane number in order to get maximum combustion results. In the process of researching the piston which was originally raw in a convex shape, which aims to increase the compression ratio, changes that occur in engine performance can be observed from the test data in the test dyno. The results of the discussion or test on the effect of ethanol-fueled piston dome surface reconstruction on the performance of a 108cc 4 stroke engine with a standard piston diameter of 50 mm flat surface and a dome piston with a diameter of 51.5 mm convex surface which produces a compression ratio of 16.855 / 1 with the use of fuel. ethhanol fuel, it can be concluded that the maximum performance of a 4 stroke combustion engine is obtained in an engine that uses a dome piston with a power gain of 8.8 HP, which is an increase of 27% from an engine that uses a standard piston, and a torque of 7.79 Nm, which is an increase of about 9% from a standard piston engine. standard piston engine.

Improving the stability and efficiency of inorganic CsPbI2Br perovskite via surface reconstruction strategy

Inorganic CsPbX3 (X = Cl, Br, I) perovskite without volatile organic components in crystal lattice, has outstanding thermal stability and broad application prospects. Various strategies have been adopted to restrain the notorious phase transition process (from cubic to orthorhombic phase) for high photoelectric conversion efficiency (PCE). Nevertheless, most studies simply focus on the surface passivation of perovskite films, ignoring the influence of surface element segregation, which is inevitable during perovskite crystallization and growth process. Herein, 2-thiopheneacetic acid (2-TPAA) was adopted to reconstruct the surface of CsPbI2Br film via secondary growth process. The constituent elements of CsPbI2Br especially Br- enrich on the surface under the action of 2-TPAA. Meanwhile, the carboxyl and thiophene groups of 2-TPAA bidentate anchor Pb2+ ions respectively, forming protective layer to inhibit the invasion of external factors. In addition, the film morphology, moisture resistance, thermodynamic stability as well as carrier transport performance of perovskite films also get improved significantly. The black phase of CsPbI2Br survives in air ambient for several days, via the synergism of surface reconstruction and passivation effect. Furthermore, the device PCE increased to 15.03%, and retained 90% initial PCE during 400 d aging. The surface reconstruction strategy provides a convenient method to improve the phase stability of CsPbI2Br perovskite films in air ambient.

Cubes to Cubes: Organization of MgO Particles into One-Dimensional and Two-Dimensional Nanostructures.

Developing simple, inexpensive, and environmentally benign approaches to integrate morphologically well-defined nanoscale building blocks into larger high surface area materials is a key challenge in materials design and processing. In this work, we investigate the fundamental surface phenomena between MgO and water (both adsorption and desorption) with particles prepared via a vapor-phase process (MgO nanocubes) and a modified aerogel process (MgO(111) nanosheets). Through these studies, we unravel a strategy to assemble individual MgO nanoparticles into extended faceted single-crystalline MgO nanosheets and nanorods with well-defined exposed surfaces and edges. This reorganization can be triggered by the presence of H2O vapor or bulk liquid water. Water adsorption and the progressive conversion of vapor-phase grown oxide particles into hydroxides give rise to either one-dimensional or two-dimensional (1D or 2D) structures of high dispersion and surface area. The resulting Mg(OH)2 lamella with a predominant (001) surface termination are well-suited precursor structures for their topotactic conversion into laterally extended and uniform MgO(111) grain surface configurations. To understand the potential of polar (111) surfaces for faceting and surface reconstruction effects associated with water desorption, we investigated the stability of MgO(111) nanosheets during vacuum annealing and electron beam exposure. The significant surface reconstruction of the MgO(111) surfaces observed shows that adsorbate-free (111)-terminated surfaces of unsupported MgO nanostructures reconstruct rather than remain as charged planes of either three-fold coordinated O2– ion or Mg2+ ions. Thus, here we demonstrate the role water can play in surface formation and reconstruction by bridging wet chemical and surface science inspired approaches.

Formaldehyde Selectivity in Methanol Partial Oxidation on Silver: Effect of Reactive Oxygen Species, Surface Reconstruction, and Stability of Intermediates

Selective oxidation reactions on heterogeneous silver catalysts are essential for the mass production of numerous industrial commodity chemicals. However, the nature of active oxygen species in such reactions is still debated. To shed light on the role of different oxygen species, we studied the methanol oxidation reaction on Ag(111) single-crystal model catalyst surfaces containing two dissimilar types of oxygen (electrophilic, Oe and nucleophilic, On). X-ray photoelectron spectroscopy and low energy electron diffraction experiments suggested that the atomic structure of the Ag(111) surface remained mostly unchanged after accumulating low Oe coverage at 140 K. Temperature-programmed reaction spectroscopic investigation of low coverages of Oe on Ag(111) revealed that Oe was active for methanol oxidation on Ag(111) with a high selectivity toward formaldehyde (CH2O) production. High surface oxygen coverages, on the other hand, triggered a reconstruction of the Ag(111) surface, yielding Ag oxide domains, which catalyzes methanol total oxidation to CO2 and decreases the formaldehyde selectivity. This important finding indicates a trade-off between CH2O selectivity and methanol conversion, where 93% CH2O selectivity can be achieved for an oxygen surface coverage of θO = 0.08 ML (ML = monolayer) with moderate methanol conversion, while methanol conversion could be boosted by a factor of ∼4 for θO = 0.26 ML with a suppression of CH2O selectivity to 50%. Infrared reflection absorption spectroscopy results and density functional theory calculations indicated that Ag oxide contains dissimilar adsorption sites for methoxy intermediates, which are also energetically less stable than that of the unreconstructed Ag(111). The current findings provide important molecular-level insights regarding the surface structure of the oxidized Ag(111) model catalyst directly governing the competition between different reaction pathways in methanol oxidation reaction, ultimately dictating the reactant conversion and product selectivity.

Stability and photoelectric nature of polar surfaces of ZnO: Effects of surface reconstruction

The photoelectric properties and structural stability of polar ZnO (0001) and ZnO (000-1) surfaces are studied by ab-initio calculations with the aid of the global optimization method and GGA+U. The interlayer distance contraction of ZnO (0001) is smaller than that of ZnO (000-1), which is related to the bonding flexibility of zinc atoms. In addition, the absorption spectra are derived from the real and imaginary parts of the dielectric function, which are calculated by first principles using the Kramer-Kronig relation. It is not surprising that the absorption peak of the polar surface is located in the ultraviolet region and extends to the visible region after reconstruction. And the electronic effective mass of the ZnO(0001) surface is smaller than that of the ZnO(000-1) surface. In addition, in the case of ZnO (0001), the surface acts as an n-type conductor, while ZnO (000-1) has a p-type conduction behavior.

3D Reconstruction of Multi-view Images Based on Modificated Histogram Equalization

Aiming at the unsatisfactory effect of three-dimensional reconstruction of multi-scale image set and the fact that the reconstruction effect of large-scale scenes such as buildings is not realistic and the details are not prominent, this paper proposes a new image enhancement algorithm to preprocessed images, and uses the floating scale surface reconstruction algorithm to improve the surface reconstruction effect. Firstly, an image enhancement algorithm is proposed, which is based on histogram equalization. Secondly, the Structure from Motion algorithm is used to recover camera parameters, extract and match features, and generate sparse point clouds. And then，the MVS algorithm is used for dense reconstruction. Finally, the floating scale surface reconstruction algorithm is used for reconstruction. The experiment proved the proposed image enhancement algorithm improves the effect of feature point extraction. The surface reconstruction algorithm we use is efficiently for surface reconstruction and improves the 3D reconstruction effect.

Surface reconstruction and band alignment of nonmetallic A(II)B(IV)O3 perovskites

Understanding the band alignment at oxide surfaces is of great importance for designing oxide-surface-based electronic, catalytic, and photocatalytic applications. We systematically investigate the band alignment of (001) surfaces of $A(\mathrm{II})B(\mathrm{IV}){\mathrm{O}}_{3}$ perovskites ($A=\mathrm{Ca}$, Sr, Ba, Pb; $B=\mathrm{Ti}$, Zr, Hf, Ge, Sn) through first-principles calculations using semilocal and hybrid functionals. The results are discussed with an emphasis on the effects of surface reconstruction on the band alignment. Reconstructed stoichiometric surfaces are generated by an evolutionary algorithm with surface energy minimization for various surface periodicity units by taking the orthorhombic phase of $\mathrm{CaTi}{\mathrm{O}}_{3}$, the tetragonal phase of $\mathrm{SrTi}{\mathrm{O}}_{3}$, and the cubic phases of $\mathrm{SrTi}{\mathrm{O}}_{3}$ and $\mathrm{BaSn}{\mathrm{O}}_{3}$ as representatives. Two types of reconstruction patterns are obtained as energetically favorable configurations common to these phases, which are composed of half-$A\mathrm{O}$ and -$B{\mathrm{O}}_{2}$ topmost layers, respectively. These reconstructed stoichiometric surfaces have energies comparable to those of nonstoichiometric surfaces, with full $A\mathrm{O}$ or $B{\mathrm{O}}_{2}$ termination under specific chemical potential conditions in $\mathrm{CaTi}{\mathrm{O}}_{3}$ and $\mathrm{SrTi}{\mathrm{O}}_{3}$. We systematically calculate the positions of the valence-band maxima and the conduction-band minima with respect to the vacuum level, namely, the ionization potentials and the electron affinities, for the reconstructed stoichiometric and the nonstoichiometric surfaces of $A(\mathrm{II})B(\mathrm{IV}){\mathrm{O}}_{3}$ perovskites. The ionization potentials and electron affinities at the reconstructed surfaces well describe the termination-plane dependencies of experimentally reported values. The surface band positions are found to show an approximately linear trend against the Goldschmidt tolerance factor, with the sign of slopes opposite to each other for the two types of reconstruction patterns. This tendency is explained by the tolerance-factor dependency of surface rumpling that significantly modifies the surface dipole, although the band positions of $A=\mathrm{Pb}$ systems exhibit a larger deviation from an expected trend due to Pb lone-pair states.

Surface reconstruction and the effect of Ni-modification on the selective hydrogenation of 1,3-butadiene over Mo2C-based catalysts

In the current study, Mo2C, NiMo2C, H–Mo2C and H–NiMo2C were synthesized to understand the effects of Ni modification and surface reconstruction.