Mechanism of Hg0 and O2 Interaction on the IrO2 (110) Surface: A Density Functional Theory Study
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Haitao Zhao | Chenghang Zheng | Xiang Gao | Wentao Li | Chenghang Zheng | Xiang Gao | Haitao Zhao | Tao Wu | Shuai Liu | Shuai Liu | Francis Enujekwu | Shuyin Yu | Tao Wu | Shuyin Yu | Wentao Li | F. Enujekwu
[1] Jiushuai Deng,et al. Combined DFT and XPS investigation of enhanced adsorption of sulfide species onto cerussite by surface modification with chloride , 2017 .
[2] J. Wilcox,et al. Role of WO3 in the Hg Oxidation across the V2O5–WO3–TiO2 SCR Catalyst: A DFT Study , 2013 .
[3] R. Behm,et al. Dynamic surface composition in a Mars-van Krevelen type reaction: CO oxidation on Au/TiO2 , 2018 .
[4] Ming Chang,et al. Oxidation mechanism of elemental mercury by HCl over MnO2 catalyst: Insights from first principles , 2015 .
[5] Song Jiang,et al. Ensemble Prediction Algorithm of Anomaly Monitoring Based on Big Data Analysis Platform of Open-Pit Mine Slope , 2018, Complex..
[6] S. Wen,et al. Surface modification of malachite with ethanediamine and its effect on sulfidization flotation , 2018 .
[7] Tao Wu,et al. Hg0-temperature-programmed surface reaction and its application on the investigation of metal oxides for Hg0 capture , 2016 .
[8] Bao-lin Wang,et al. First-principles study of transition-metal atoms adsorption on MoS2 monolayer , 2014 .
[9] J. Wilcox,et al. DFT Study of Hg Oxidation across Vanadia-Titania SCR Catalyst under Flue Gas Conditions , 2013 .
[10] Tao Wu,et al. Integrated Dynamic and Steady State Method and Its Application on the Screening of MoS2 Nanosheet-Containing Adsorbents for Hg0 Capture , 2018 .
[11] Tao Wu,et al. Microwave-induced activation of additional active edge sites on the MoS 2 surface for enhanced Hg 0 capture , 2017 .
[12] Tao Wu,et al. Hg(0) Capture over CoMoS/γ-Al2O3 with MoS2 Nanosheets at Low Temperatures. , 2016, Environmental science & technology.
[13] S. Wen,et al. Activation mechanism of lead ions in cassiterite flotation with salicylhydroxamic acid as collector , 2017 .
[14] Jinsong Zhou,et al. Mercury Oxidation over a Vanadia-based Selective Catalytic Reduction Catalyst , 2009 .
[15] Hg Binding on Pd Binary Alloys and Overlays , 2009 .
[16] Jing Liu,et al. The adsorption mechanism of elemental mercury on CuO (1 1 0) surface , 2012 .
[17] G. Jiang,et al. Mercury pollution in China , 2006 .
[18] J. Wilcox,et al. Uncertainty Analysis of the Mercury Oxidation over a Standard SCR Catalyst through a Lab-Scale Kinetic Study , 2015 .
[19] Xinghua Li,et al. Comparison of Elemental Mercury Oxidation Across Vanadium and Cerium Based Catalysts in Coal Combustion Flue Gas: Catalytic Performances and Particulate Matter Effects. , 2018, Environmental science & technology.
[20] S. Aboud,et al. Investigation of adsorption behavior of mercury on Au(111) from first principles. , 2012, Environmental science & technology.
[21] N. López,et al. HCl Oxidation on IrO2-Based Catalysts: From Fundamentals to Scale-Up , 2013 .
[22] S. Aboud,et al. First-Principles Investigation of Mercury Adsorption on the α-Fe2O3(11̅02) Surface , 2015 .
[23] G. Kresse,et al. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set , 1996 .
[24] Ming Chang,et al. Insights into the mechanism of heterogeneous mercury oxidation by HCl over V2O5/TiO2 catalyst: Periodic density functional theory study , 2015 .
[25] Zhaoxing Li,et al. Research on Big Data Digging of Hot Topics about Recycled Water Use on Micro-Blog Based on Particle Swarm Optimization , 2018, Sustainability.
[26] Pengfei Cao,et al. Graphene-like MoS 2 containing adsorbents for Hg 0 capture at coal-fired power plants , 2017 .
[27] Jing Liu,et al. Comprehensive Hg/Br reaction chemistry over Fe2O3 surface during coal combustion , 2018, Combustion and Flame.
[28] Pekka Pyykkö,et al. Molecular single-bond covalent radii for elements 1-118. , 2009, Chemistry.
[29] Feng Liu,et al. Mechanistic studies of mercury adsorption and oxidation by oxygen over spinel-type MnFe2O4. , 2017, Journal of hazardous materials.
[30] Chia-Ching Wang,et al. Density functional theory study of the oxidation of ammonia on the IrO2(110) surface. , 2011, Langmuir : the ACS journal of surfaces and colloids.
[31] Jaber Jahanbin Sardroodi,et al. Investigation of the adsorption of ozone molecules on TiO 2 /WSe 2 nanocomposites by DFT computations: Applications to gas sensor devices , 2018 .
[32] Chenghang Zheng,et al. Structural defects in 2D MoS2 nanosheets and their roles in the adsorption of airborne elemental mercury. , 2019, Journal of hazardous materials.
[33] Hao Zhang,et al. Systematic Research on the Application of Steel Slag Resources under the Background of Big Data , 2018, Complex..
[34] Erwin M. Sabio,et al. Photocatalytic water oxidation with nonsensitized IrO2 nanocrystals under visible and UV light. , 2011, Journal of the American Chemical Society.
[35] X. Dong,et al. Novel Sodium Niobate-Based Lead-Free Ceramics as New Environment-Friendly Energy Storage Materials with High Energy Density, High Power Density, and Excellent Stability , 2018, ACS Sustainable Chemistry & Engineering.
[36] Jing Liu,et al. Heterogeneous reaction mechanism of elemental mercury oxidation by oxygen species over MnO2 catalyst , 2019, Proceedings of the Combustion Institute.
[37] J. Wilcox,et al. Heterogeneous mercury oxidation on au(111) from first principles. , 2013, Environmental science & technology.
[38] S. Aboud,et al. Mercury adsorption on PdAu, PdAg and PdCu alloys , 2008 .
[39] Zongxian Yang,et al. A theoretical simulation on the catalytic oxidation of CO on Pt/graphene. , 2012, Physical chemistry chemical physics : PCCP.
[40] Shijian Yang,et al. MnOx supported on Fe–Ti spinel: A novel Mn based low temperature SCR catalyst with a high N2 selectivity , 2016 .