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RESEARCH PAPER · The Journal of Physical Chemistry C · 2016

Dopants in Lanthanum Manganite: Insights from First-Principles Chemical Space Exploration

Sridevi Krishnan, Vinit Sharma, Prabhakar Singh, Rampi Ramprasad

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Dopants in Lanthanum Manganite: Insights from First-Principles Chemical Space ExplorationOriginalExperimental and thermodynamic evaluation of La1−xSrxMnO3±δ and La1−xSrxCo1−yFeyO3−δ cathodes in Cr-containing humidified air20La0.7(Sr0.3-xPdx)MnO3 as a highly efficient electrocatalyst for oxygen reduction reaction in aluminum air battery45Tunable magnetism of 3d transition metal doped BiFeO 321Designing functionality in perovskite thin films using ion implantation techniques: Assessment and insights from first-principles calculations8Magnetic and energetic properties of transition metal doped alumina9Reversible perovskite electrocatalysts for oxygen reduction/oxygen evolution61Oxygen vacancy induced electronic structure variation in the La0.2Sr0.8MnO3 thin film42Mechanism of CO production around oxygen vacancy of LaMnO 3 : an efficient and rapid evaluation of the doping effect on the kinetics and thermodynamic driving force of CO 2 -splitting27Mechanism of oxygen vacancy assisted water-splitting of LaMnO 3 : inorganic perovskite prediction for fast solar thermochemical H 2 production8Machine learning substitutional defect formation energies in ABO3 perovskites35Chemical formula input relied intelligent identification of an inorganic perovskite for solar thermochemical hydrogen production4Experimental and DFT study of undoped and A/B-site doped Nd1-xAxMn1-yAlyO3 (A = Ca, Sr, Ba) perovskites for thermochemical CO2 conversion1Role of B-site cation in Sr doped Nd1-xSrxBO3 (B = Mn, Fe) perovskite for two-step thermochemical CO2 splitting0

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  1. Experimental and thermodynamic evaluation of La1−xSrxMnO3±δ and La1−xSrxCo1−yFeyO3−δ cathodes in Cr-containing humidified air

    International Journal of Hydrogen Energy · 2017-01-30

    Boxun Hu, Sridevi Krishnan, Chiying Liang, Su Jeong Heo, Ashish N. Aphale, Rampi Ramprasad, Prabhakar Singh

    Read original paper ↗ ·

  2. La0.7(Sr0.3-xPdx)MnO3 as a highly efficient electrocatalyst for oxygen reduction reaction in aluminum air battery

    Electrochimica Acta · 2017-01-30

    Yejian Xue, Shanshan Sun, Qin Wang, He Miao, Shihua Li, Zhaoping Liu

    Read original paper ↗ ·

  3. Tunable magnetism of 3d transition metal doped BiFeO 3

    Journal of Magnetism and Magnetic Materials · 2017-05-06

    Song Lu, Can Li, Yafei Zhao, Yinyan Gong, Lengyuan Niu, Xinjuan Liu, Tao Wang

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  4. Designing functionality in perovskite thin films using ion implantation techniques: Assessment and insights from first-principles calculations

    Scientific Reports · 2017-09-05

    Vinit Sharma, Andreas Herklotz, Thomas Zac Ward, Fernando Agustín Reboredo

    Read original paper ↗ ·

  5. Magnetic and energetic properties of transition metal doped alumina

    Journal of Physics Condensed Matter · 2018-08-14

    Erik C. Nykwest, B.C. Rinderspacher, Jennifer M. Elward, Raymond E. Brennan, Krista R. Limmer

    Read original paper ↗ ·

  6. Reversible perovskite electrocatalysts for oxygen reduction/oxygen evolution

    Chemical Science · 2019-01-01

    Kieren Bradley, Kyriakos Giagloglou, Brian E. Hayden, Hugo Jungius, Chris Vian

    Read original paper ↗ ·

  7. Oxygen vacancy induced electronic structure variation in the La0.2Sr0.8MnO3 thin film

    AIP Advances · 2019-05-01

    Jiali Zhao, Chen Liu, Jinmei Li, Rui Hua Wu, Jiaou Wang, Haijie Qian, Haizhong Guo, Jiankun Li, Kurash Ibrahim

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  8. Mechanism of CO production around oxygen vacancy of LaMnO 3 : an efficient and rapid evaluation of the doping effect on the kinetics and thermodynamic driving force of CO 2 -splitting

    Journal of Materials Chemistry A · 2019-12-12

    Mingkai Fu, Lei Wang, Tianzeng Ma, Haitao Ma, Huajun Xu, Xin Li

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  9. Mechanism of oxygen vacancy assisted water-splitting of LaMnO 3 : inorganic perovskite prediction for fast solar thermochemical H 2 production

    Inorganic Chemistry Frontiers · 2020-01-01

    Mingkai Fu, Huajun Xu, Xin Li

    Read original paper ↗ ·

  10. Machine learning substitutional defect formation energies in ABO3 perovskites

    Journal of Applied Physics · 2020-07-15

    Vinit Sharma, Pankaj Kumar, Pratibha Dev, Ghanshyam Pilania

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  11. Chemical formula input relied intelligent identification of an inorganic perovskite for solar thermochemical hydrogen production

    Inorganic Chemistry Frontiers · 2021-01-01

    Mingkai Fu, Lei Wang, Tianzeng Ma, Jiani Wu, Shaomeng Dai, Zheshao Chang, Qiangqiang Zhang, Huajun Xu, Xin Li

    Read original paper ↗ ·

  12. Experimental and DFT study of undoped and A/B-site doped Nd1-xAxMn1-yAlyO3 (A = Ca, Sr, Ba) perovskites for thermochemical CO2 conversion

    Journal of CO2 Utilization · 2026-04-11

    Muhammad Usman, Stéphane Abanades, Daniel Bahamón, Lourdes F. Vega, Giovanni Palmisano, Georgios N. Karanikolos, Khalid A. Al-Ali

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  13. Role of B-site cation in Sr doped Nd1-xSrxBO3 (B = Mn, Fe) perovskite for two-step thermochemical CO2 splitting

    Fuel · 2026-05-17

    Muhammad Usman, Stéphane Abanades, Daniel Bahamón, Lourdes F. Vega, Giovanni Palmisano, Georgios N. Karanikolos, Khalid A. Al-Ali

    Read original paper ↗ ·
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