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Anuj Goyal
Assistant Professor
Department of Materials Science and Metallurgical Engineering
anujgoyal@msme.iith.ac.in (Work)
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Publications (20)
Publications (20)
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Articles
Investigating the Electronic Structure of Prospective Water-Splitting Oxide BaCe0.25Mn0.75O3−δ before and after Thermal Reduction
S. Roychoudhury
,
S. Shulda
,
Anuj Goyal
,
...
,
D. Prendergast
(11 authors)
2023 | American Chemical Society
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Erratum: The importance of phase equilibrium for doping efficiency: Iodine doped PbTe(Materials Horizons(2019) 6 (1444–1453) DOI: 10.1039/C9MH00294D)
J. Male
,
M.T. Agne
,
Anuj Goyal
,
...
,
G.J. Snyder
(7 authors)
2022 | Royal Society of Chemistry
Articles
Formation of 6H-Ba3Ce0.75Mn2.25O9during Thermochemical Reduction of 12R-Ba4CeMn3O12: Identification of a Polytype in the Ba(Ce,Mn)O3Family
N.A. Strange
,
J.E. Park
,
Anuj Goyal
,
...
,
D.S. Ginley
(11 authors)
2022 | American Chemical Society
Articles
Computational Fermi level engineering and doping-type conversion of Mg:Ga2O3 via three-step synthesis process
Anuj Goyal
,
A. Zakutayev
,
...
,
S. Lany
(4 authors)
2021 | American Institute of Physics Inc.
Articles
A data fusion approach to optimize compositional stability of halide perovskites
S. Sun
,
A. Tiihonen
,
...
,
Anuj Goyal
,
...
,
T. Buonassisi
(20 authors)
2021 | Cell Press
Articles
The influence of alloying on the stacking fault energy of gold from density functional theory calculations
Anuj Goyal
,
Y. Li
,
...
,
S.R. Phillpot
(7 authors)
2021 | Elsevier B.V.
Articles
On the Dopability of Semiconductors and Governing Material Properties
Anuj Goyal
,
P. Gorai
,
...
,
V. Stevanović
(6 authors)
2020 | American Chemical Society
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Articles
Insights into operational stability and processing of halide perovskite active layers
L.T. Schelhas
,
Z. Li
,
...
,
Anuj Goyal
,
...
,
J.J. Berry
(12 authors)
2019 | Royal Society of Chemistry
Articles
The importance of phase equilibrium for doping efficiency: Iodine doped PbTe
J. Male
,
M.T. Agne
,
Anuj Goyal
,
...
,
G.J. Snyder
(7 authors)
2019 | Royal Society of Chemistry
Articles
A simple chemical guide for finding novel n-type dopable Zintl pnictide thermoelectric materials
P. Gorai
,
Anuj Goyal
,
...
,
V. Stevanović
(4 authors)
2019 | Royal Society of Chemistry
Articles
The conundrum of relaxation volumes in first-principles calculations of charged defects in UO2
Anuj Goyal
,
K. Mathew
,
...
,
B.P. Uberuaga
(9 authors)
2019 | MDPI AG
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Publisher Copy
Articles
Metastable rocksalt ZnO is p-type dopable
Anuj Goyal
and
V. Stevanović
2018 | American Physical Society
Articles
Origin of Pronounced Nonlinear Band Gap Behavior in Lead-Tin Hybrid Perovskite Alloys
Anuj Goyal
,
S. McKechnie
,
...
,
V. Stevanović
(6 authors)
2018 | American Chemical Society
Articles
First-principles calculation of intrinsic defect chemistry and self-doping in PbTe
Anuj Goyal
,
P. Gorai
,
...
,
V. Stevanović
(4 authors)
2017 | Nature Publishing Group
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PDF
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Articles
A computational framework for automation of point defect calculations
Anuj Goyal
,
P. Gorai
,
...
,
V. Stevanović
(5 authors)
2017 | Elsevier B.V.
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Postprint
Articles
Capturing Anharmonicity in a Lattice Thermal Conductivity Model for High-Throughput Predictions
S.A. Miller
,
P. Gorai
,
...
,
Anuj Goyal
,
...
,
E.S. Toberer
(11 authors)
2017 | American Chemical Society
Articles
Nanoindentation of gold and gold alloys by molecular dynamics simulation
Y. Li
,
Anuj Goyal
,
...
,
S.R. Phillpot
(7 authors)
2016 | Elsevier Ltd
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Articles
Charge optimized many-body potential for aluminum
K. Choudhary
,
T. Liang
,
...
,
Anuj Goyal
,
...
,
S.B. Sinnott
(7 authors)
2015 | Institute of Physics Publishing
Articles
Impact of homogeneous strain on uranium vacancy diffusion in uranium dioxide
Anuj Goyal
,
S.R. Phillpot
,
...
,
B.P. Uberuaga
(6 authors)
2015 | American Physical Society
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PDF
Postprint
Articles
Segregation of ruthenium to edge dislocations in uranium dioxide
Anuj Goyal
,
T. Rudzik
,
...
,
S.R. Phillpot
(7 authors)
2013
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