Activation mechanisms of H 2 , O 2 , H 2 O, CO 2 , CO, CH 4 and C 2 H x on metallic Mo 2 C(001) as well as Mo/C terminated Mo 2 C(101) from density functional theory computations

Shi, Yun; Yang, Yong; Li, Yongwang; Jiao, Haijun

doi:10.1016/j.apcata.2016.07.003

Cited by 47 publications

(53 citation statements)

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“…[22] DFTcalculations by Shi et al further illustrate that CO 2 dissociation over Mo 2 C( CO 2 !CO + O) is more favorable than CO 2 hydrogenation (CO 2 + H!HCOOo rC OOH), suggesting high CO selectivity. [23] Reactor experiments overu nsupported Mo 2 Cp owder catalysts for RWGS at 300 8Ca nd 0.1 MPa show 8.7 %c onversion and 93.9 %s electivity towards CO, [24] confirming the DFT calculations. As tudy using Mo 2 Cn anowires also reports high activity and CO selectivity at 600 8C.…”

Section: Introductionsupporting

confidence: 64%

Potassium‐Promoted Molybdenum Carbide as a Highly Active and Selective Catalyst for CO₂ Conversion to CO

et al. 2017

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The high concentration of CO bound in seawater represents a significant opportunity to extract and use this CO as a C feedstock for synthetic fuels. Using an existing process, CO and H can be concurrently extracted from seawater and then catalytically reacted to produce synthetic fuel. Hydrogenating CO directly into liquid hydrocarbons is exceptionally difficult, but by first identifying a catalyst for selective CO production through the reverse water-gas shift (RWGS) reaction, CO can then be hydrogenated to fuel through Fischer-Tropsch (FT) synthesis. Results of this study demonstrate that potassium-promoted molybdenum carbide supported on γ-Al O (K-Mo C/γ-Al O ) is a low-cost, stable, and highly selective catalyst for RWGS over a wide range of conversions. These findings are supported by X-ray diffraction, scanning electron microscopy with energy-dispersive X-ray spectroscopy, X-ray photoelectron spectroscopy, and density functional theory calculations.

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Section: Introductionsupporting

confidence: 64%

Potassium‐Promoted Molybdenum Carbide as a Highly Active and Selective Catalyst for CO₂ Conversion to CO

et al. 2017

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“…This phenomenon has been investigated extensively in the context of "assembly bias"-a dependence of the clustering of halos on properties besides mass (Gao et al 2005;Wechsler et al 2006;Wetzel et al 2007;Wang et al 2007;Keselman & Nusser 2007;Croton et al 2007;Wu et al 2008;Li et al 2008;Dalal et al 2008;Faltenbacher & White 2010;Lacerna & Padilla 2011Wang et al 2013a;Zentner et al 2014). Previous studies have also established long-range correlations between tidal forces and internal halo properties and/or halo assembly history (Wang et al 2007;Hahn et al 2007aHahn et al ,b, 2009Wang et al 2011;Behroozi et al 2014;Shi et al 2015). There is no shortage of halo properties with large-scale correlations.…”

Section: Introductionmentioning

confidence: 91%

“…Although two-halo conformity in galaxy SSFR may seem puzzling, in fact many properties of dark matter halos are correlated on these scales (Hahn et al 2007a,b;Wang et al 2011;Shi et al 2015). Such correlations are not at all puzzling, as nearby halos form out of the same over-dense patch in the cosmic density field.…”

Section: Introductionmentioning

confidence: 99%

On the physical origin of galactic conformity

Hearin

Behroozi

Bosch

2016

Mon. Not. R. Astron. Soc.

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Correlations between the star formation rates (SFRs) of nearby galaxies (socalled galactic conformity) have been observed for projected separations up to 4 Mpc, an effect not predicted by current semi-analytic models. We investigate correlations between the mass accretion rates (dM vir /dt) of nearby halos as a potential physical origin for this effect. We find that pairs of host halos "know about" each others' assembly histories even when their present-day separation is greater than thirty times the virial radius of either halo. These distances are far too large for direct interaction between the halos to explain the correlation in their dM vir /dt. Instead, halo pairs at these distances reside in the same largescale tidal environment, which regulates dM vir /dt for both halos. Larger halos are less affected by external forces, which naturally gives rise to a mass dependence of the halo conformity signal. SDSS measurements of galactic conformity exhibit a qualitatively similar dependence on stellar mass, including how the signal varies with distance. Based on the expectation that halo accretion and galaxy SFR are correlated, we predict the scale-, mass-and redshift-dependence of large-scale galactic conformity, finding that the signal should drop to undetectable levels by z 1. These predictions are testable with current surveys to z ∼ 1; confirmation would establish a strong correlation between dark matter halo accretion rate and central galaxy SFR.

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“…Lower-mass halos are strongly influenced by the tidal field in which they evolve (Hahn et al 2007;Wang et al 2011;Shi et al 2015;Hahn et al 2009;Hearin et al 2015); the EPS assumption that the halo dominates its environment breaks down catastrophically, and in this regime nonlinear evolution governs assembly bias. On the other hand, high-mass halos do dominate their tidal environment; the EPS assumption holds good, and we can understand assembly bias as naturally arising from the statistics of Gaussian fluctuations.…”

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confidence: 99%

The scale-dependence of halo assembly bias

Sunayama¹,

Hearin²,

Padmanabhan³

et al. 2016

Mon. Not. R. Astron. Soc.

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The two-point clustering of dark matter halos is influenced by halo properties besides mass, a phenomenon referred to as halo assembly bias. Using the depth of the gravitational potential well, V max , as our secondary halo property, in this paper we present the first study of the scale-dependence assembly bias. In the large-scale linear regime, r 10Mpc/h, our findings are in keeping with previous results. In particular, at the low-mass end (M vir < M coll ≈ 10 12.5 M /h), halos with high-V max show stronger large-scale clustering relative to halos with low-V max of the same mass; this trend weakens and reverses for M vir M coll . In the nonlinear regime, assembly bias in low-mass halos exhibits a pronounced scale-dependent "bump" at 500kpc/h − 5Mpc/h, a new result. This feature weakens and eventually vanishes for halos of higher mass. We show that this scale-dependent signature can primarily be attributed to a special subpopulation of ejected halos, defined as present-day host halos that were previously members of a higher-mass halo at some point in their past history. A corollary of our results is that galaxy clustering on scales of r ∼ 1 − 2Mpc/h can be impacted by up to ∼ 15% by the choice of the halo property used in the halo model, even for stellar mass-limited samples.

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Activation mechanisms of H 2 , O 2 , H 2 O, CO 2 , CO, CH 4 and C 2 H x on metallic Mo 2 C(001) as well as Mo/C terminated Mo 2 C(101) from density functional theory computations

Cited by 47 publications

References 50 publications

Potassium‐Promoted Molybdenum Carbide as a Highly Active and Selective Catalyst for CO₂ Conversion to CO

Potassium‐Promoted Molybdenum Carbide as a Highly Active and Selective Catalyst for CO₂ Conversion to CO

On the physical origin of galactic conformity

The scale-dependence of halo assembly bias

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Activation mechanisms of H 2 , O 2 , H 2 O, CO 2 , CO, CH 4 and C 2 H x on metallic Mo 2 C(001) as well as Mo/C terminated Mo 2 C(101) from density functional theory computations

Cited by 47 publications

References 50 publications

Potassium‐Promoted Molybdenum Carbide as a Highly Active and Selective Catalyst for CO2 Conversion to CO

Potassium‐Promoted Molybdenum Carbide as a Highly Active and Selective Catalyst for CO2 Conversion to CO

On the physical origin of galactic conformity

The scale-dependence of halo assembly bias

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Product

Resources

About

Potassium‐Promoted Molybdenum Carbide as a Highly Active and Selective Catalyst for CO₂ Conversion to CO

Potassium‐Promoted Molybdenum Carbide as a Highly Active and Selective Catalyst for CO₂ Conversion to CO