scholarly journals Correction: Topological behaviour of ternary non-symmorphic crystals KZnX (X = P, As, Sb) under pressure and strain: a first principles study

2018 ◽  
Vol 20 (39) ◽  
pp. 25548-25550
Author(s):  
Atahar Parveen ◽  
E. Narsimha Rao ◽  
B. Adivaiah ◽  
P. Anees ◽  
G. Vaitheeswaran
Keyword(s):  
First Principles ◽  
Chem Phys ◽  
First Principles Study ◽  
Phys Chem Chem Phys

Correction for ‘Topological behaviour of ternary non-symmorphic crystals KZnX (X = P, As, Sb) under pressure and strain: a first principles study’ by Atahar Parveen et al., Phys. Chem. Chem. Phys., 2018, 20, 5084–5102.

scholarly journals Correction: A first-principles study of the stability, electronic structure, and optical properties of halide double perovskite Rb2Sn1−xTexI6 for solar cell applications

2021 ◽  
Author(s):  
Muhammad Faizan ◽  
Jiahao Xie ◽  
Ghulam Murtaza ◽  
Carlos Echeverría-Arrondo ◽  
Thamraa Alshahrani ◽  
...  
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
Solar Cell ◽  
First Principles ◽  
Double Perovskite ◽  
Chem Phys ◽  
First Principles Study ◽  
The Stability ◽  
Phys Chem Chem Phys

Correction for ‘A first-principles study of the stability, electronic structure, and optical properties of halide double perovskite Rb2Sn1−xTexI6 for solar cell applications’ by Muhammad Faizan et al., Phys. Chem. Chem. Phys., 2021, 23, 4646–4657, DOI: 10.1039/D0CP05827K.

First-principles study of cubane-type ZnO: Another ZnO polymorph [Chem. Phys. Lett. 557 (2013) 102]

2013 ◽  
Vol 568-569 ◽  
pp. 202
Author(s):  
Shengli Zhang ◽  
Yonghong Zhang ◽  
Shiping Huang ◽  
Peng Wang ◽  
Huiping Tian
Keyword(s):  
First Principles ◽  
Chem Phys ◽  
First Principles Study

scholarly journals Correction: Intrinsic defect formation and the effect of transition metal doping on transport properties in a ductile thermoelectric material α-Ag2S: a first-principles study

2021 ◽  
Author(s):  
Ho Ngoc Nam ◽  
Ryo Yamada ◽  
Haruki Okumura ◽  
Tien Quang Nguyen ◽  
Katsuhiro Suzuki ◽  
...  
Keyword(s):  
Transition Metal ◽  
Transport Properties ◽  
Thermoelectric Material ◽  
First Principles ◽  
Defect Formation ◽  
Chem Phys ◽  
Intrinsic Defect ◽  
Transition Metal Doping ◽  
Metal Doping ◽  
First Principles Study

Correction for ‘Intrinsic defect formation and the effect of transition metal doping on transport properties in a ductile thermoelectric material α-Ag2S: a first-principles study’ by Ho Ngoc Nam et al., Phys. Chem. Chem. Phys., 2021, DOI: 10.1039/d0cp06624a.

scholarly journals Correction: p-Type conductivity mechanism and defect structure of nitrogen-doped LiNbO3 from first-principles calculations

2020 ◽  
Vol 22 (3) ◽  
pp. 1784-1784
Author(s):  
Weiwei Wang ◽  
Yang Zhong ◽  
Dahuai Zheng ◽  
Hongde Liu ◽  
Yongfa Kong ◽  
...  
Keyword(s):  
First Principles ◽  
Defect Structure ◽  
Chem Phys ◽  
First Principles Calculations ◽  
Type Conductivity ◽  
Nitrogen Doped ◽  
Conductivity Mechanism ◽  
P Type ◽  
Phys Chem Chem Phys

Correction for ‘p-Type conductivity mechanism and defect structure of nitrogen-doped LiNbO3 from first-principles calculations’ by Weiwei Wang et al., Phys. Chem. Chem. Phys., 2020, 22, 20–27.

Comment on “Calibration of 57Fe Mössbauer constants by first principles” Phys. Chem. Chem. Phys., 2016, 18, 10201–10206

2016 ◽  
Vol 18 (37) ◽  
pp. 26306-26309 ◽  
Author(s):  
Fernande Grandjean ◽  
Gary J. Long
Keyword(s):  
Isomer Shift ◽  
First Principles ◽  
Chem Phys ◽  
57Fe Mössbauer ◽  
Proportionality Constant ◽  
Mössbauer Isomer Shift ◽  
Phys Chem Chem Phys

The proportionality constant between the iron-57 Mössbauer isomer shift and the electron probablility density at the nucleus is reevaluated from the correct experimental isomer shifts.

scholarly journals Correction: First-principles analysis of the spectroscopic limited maximum efficiency of photovoltaic absorber layers for CuAu-like chalcogenides and silicon

2017 ◽  
Vol 19 (8) ◽  
pp. 6292-6292 ◽  
Author(s):  
Marnik Bercx ◽  
Nasrin Sarmadian ◽  
Rolando Saniz ◽  
Bart Partoens ◽  
Dirk Lamoen
Keyword(s):  
First Principles ◽  
Chem Phys ◽  
Maximum Efficiency ◽  
Phys Chem Chem Phys

Correction for ‘First-principles analysis of the spectroscopic limited maximum efficiency of photovoltaic absorber layers for CuAu-like chalcogenides and silicon’ by Marnik Bercx et al., Phys. Chem. Chem. Phys., 2016, 18, 20542–20549.

Erratum to ‘A first-principles study of oxidation pattern in magic Si7 cluster’ [Chem. Phys. Lett. 430 (2006) 1]

2007 ◽  
Vol 440 (1-3) ◽  
pp. 169
Author(s):  
Q.J. Zang ◽  
Z.M. Su ◽  
W.C. Lu ◽  
C.Z. Wang ◽  
K.M. Ho
Keyword(s):  
First Principles ◽  
Chem Phys ◽  
First Principles Study

scholarly journals Correction: The corrosion inhibition of stainless steel by ferrocene–polyoxometalate hybrid molecular materials – experimental and first principles studies

2021 ◽  
Author(s):  
Sruthi G. ◽  
Shakeela K. ◽  
Shanmugam R. ◽  
Ranga Rao G.
Keyword(s):  
Stainless Steel ◽  
Corrosion Inhibition ◽  
First Principles ◽  
Chem Phys ◽  
Molecular Materials ◽  
Phys Chem Chem Phys

Correction for ‘The corrosion inhibition of stainless steel by ferrocene–polyoxometalate hybrid molecular materials – experimental and first principles studies’ by G. Sruthi et al., Phys. Chem. Chem. Phys., 2020, 22, 3329–3344, DOI: 10.1039/C9CP06284J.

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