Effect of Mn-doped CaO on NO reduction by CO in carbonation stage of calcium looping: A density functional theory study

Journal of Environmental Chemical Engineering ◽

10.1016/j.jece.2021.106987 ◽

2021 ◽

pp. 106987

Author(s):

Shoubing Chai ◽

Yingjie Li ◽

Wan Zhang ◽

Yuzhuo Wang ◽

Liguo Yang ◽

...

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

No Reduction ◽

Density Functional Theory Study ◽

Functional Theory ◽

Calcium Looping ◽

No Reduction By Co ◽

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Density Functional Theory Study on Electronic and Magnetic Properties of Mn‐Doped (MgO)n (n=2–10) Clusters

Chinese Journal of Chemical Physics ◽

10.1063/1674-0068/26/01/35-42 ◽

2013 ◽

Vol 26 (1) ◽

pp. 35-42 ◽

Author(s):

Peng Wang ◽

Ming‐xia Yang ◽

Sheng‐li Zhang ◽

Shi‐ping Huang ◽

Hui‐ping Tian

Keyword(s):

Density Functional Theory ◽

Magnetic Properties ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electronic And Magnetic Properties ◽

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Density functional theory study of water interactions on Mn-doped CeO2(111) surface

Applied Surface Science ◽

10.1016/j.apsusc.2014.06.076 ◽

2014 ◽

Vol 313 ◽

pp. 784-793 ◽

Author(s):

Delfina García Pintos ◽

Alfredo Juan ◽

Beatriz Irigoyen

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

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The effect of Cu on NO reduction by char with density functional theory in carbonation stage of calcium looping

Fuel ◽

10.1016/j.fuel.2020.119332 ◽

2021 ◽

Vol 283 ◽

pp. 119332

Author(s):

Yuzhuo Wang ◽

Yingjie Li ◽

Wan Zhang ◽

Xiaotong Ma ◽

Zeyan Wang

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

No Reduction ◽

Functional Theory ◽

Calcium Looping

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A Density Functional Theory Study of NO Reduction by C3H8 Aided Selective Catalytic Reduction Method

Catalysis Letters ◽

10.1007/s10562-014-1475-2 ◽

2015 ◽

Vol 145 (3) ◽

pp. 964-970 ◽

Author(s):

Ilker Tezsevin ◽

Deniz Onay ◽

Mehmet Ferdi Fellah ◽

Isik Onal

Keyword(s):

Density Functional Theory ◽

Selective Catalytic Reduction ◽

Density Functional ◽

Reduction Method ◽

No Reduction ◽

Catalytic Reduction ◽

Density Functional Theory Study ◽

Functional Theory

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A density functional theory study of NO reduction promoted by Au4 + and Au4

2011 International Conference on Remote Sensing, Environment and Transportation Engineering ◽

10.1109/rsete.2011.5965869 ◽

2011 ◽

Author(s):

Yingying Wang ◽

Changqing Guo ◽

Dongju Zhang ◽

Chengbu Liu

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

No Reduction ◽

Density Functional Theory Study ◽

Functional Theory

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Density functional theory study of CO2 reduction to CH3OH on the surfaces of metal (Cu, Ni, and Mn)-doped carbon nanotubes

Journal of Physics and Chemistry of Solids ◽

10.1016/j.jpcs.2021.110537 ◽

2021 ◽

pp. 110537

Author(s):

Xuefeng Xu ◽

Hao Yan ◽

Decai Dai ◽

Abdol Ghaffar Ebadi

Keyword(s):

Carbon Nanotubes ◽

Density Functional Theory ◽

Density Functional ◽

Co2 Reduction ◽

Density Functional Theory Study ◽

Functional Theory ◽

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Enhanced optical absorption in visible range in Mn doped AlP: A density functional theory study

Journal of Magnetism and Magnetic Materials ◽

10.1016/j.jmmm.2018.02.055 ◽

2018 ◽

Vol 457 ◽

pp. 13-16 ◽

Author(s):

Yu Chen ◽

Yongming Xing ◽

Aifeng Jiang ◽

Chengen Zhou ◽

Shufeng Lu

Keyword(s):

Density Functional Theory ◽

Optical Absorption ◽

Density Functional ◽

Visible Range ◽

Density Functional Theory Study ◽

Functional Theory ◽

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Density Functional Theory Study of the Mechanism of Formaldehyde Oxidation on Mn-Doped Ceria

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.6b03218 ◽

2016 ◽

Vol 120 (24) ◽

pp. 13071-13077 ◽

Author(s):

Hairong Wu ◽

Sicong Ma ◽

Weiyu Song ◽

Emiel J. M. Hensen

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Doped Ceria ◽

Density Functional Theory Study ◽

Functional Theory ◽

Formaldehyde Oxidation ◽

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Methylene imino radical H2CN : matrix isolation ESR and density functional theory study

Molecular Physics ◽

10.1080/002689799165107 ◽

1999 ◽

Vol 96 (6) ◽

pp. 993-1000 ◽

Author(s):

PAUL H. KASAI

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Matrix Isolation ◽

Density Functional Theory Study ◽

Functional Theory

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A Density Functional Theory Study of 2-Chlorothiophene Adsorption on Rh(111) Surface

CHINESE JOURNAL OF CATALYSIS (CHINESE VERSION) ◽

10.3724/sp.j.1088.2010.90513 ◽

2010 ◽

Vol 31 (1) ◽

pp. 49-55

Author(s):

Zhanhong CHEN ◽

Kaining DING ◽

Xianglan XU ◽

Junqian LI

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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