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Md Roknuzzaman
Md Roknuzzaman
Postdoctoral Research Associate, School of Chemistry, University of Sydney, Australia
E-mail confirmado em sydney.edu.au
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Towards lead-free perovskite photovoltaics and optoelectronics by ab-initio simulations
M Roknuzzaman, KK Ostrikov, H Wang, A Du, T Tesfamichael
Scientific reports 7 (1), 1-8, 2017
4052017
Electronic and optical properties of lead-free hybrid double perovskites for photovoltaic and optoelectronic applications
M Roknuzzaman, C Zhang, KK Ostrikov, A Du, H Wang, L Wang, ...
Scientific reports 9 (1), 1-7, 2019
1702019
Insight into lead-free organic-inorganic hybrid perovskites for photovoltaics and optoelectronics: A first-principles study
M Roknuzzaman, KK Ostrikov, KC Wasalathilake, C Yan, H Wang, ...
Organic Electronics 59, 99-106, 2018
1482018
Elastic and thermodynamic properties of new (Zr3− xTix) AlC2 MAX-phase solid solutions
MA Hadi, M Roknuzzaman, A Chroneos, SH Naqib, A Islam, RV Vovk, ...
Computational Materials Science 137, 318-326, 2017
1462017
Physical properties of predicted Ti2CdN versus existing Ti2CdC MAX phase: An ab initio study
M Roknuzzaman, MA Hadi, MJ Abden, MT Nasir, A Islam, MS Ali, ...
Computational Materials Science 113, 148-153, 2016
1142016
First hafnium-based MAX phase in the 312 family, Hf3AlC2: A first-principles study
M Roknuzzaman, MA Hadi, MA Ali, MM Hossain, N Jahan, MM Uddin, ...
Journal of Alloys and Compounds 727, 616-626, 2017
1102017
First‐principles prediction of mechanical and bonding characteristics of new T2 superconductor Ta5GeB2
MA Hadi, MT Nasir, M Roknuzzaman, MA Rayhan, SH Naqib, A Islam
physica status solidi (b) 253 (10), 2020-2026, 2016
672016
Ab initio atomistic insights into lead-free formamidinium based hybrid perovskites for photovoltaics and optoelectronics
M Roknuzzaman, JA Alarco, H Wang, A Du, T Tesfamichael, KK Ostrikov
Computational Materials Science 169, 109118, 2019
662019
Interaction between functionalized graphene and sulfur compounds in a lithium–sulfur battery–a density functional theory investigation
KC Wasalathilake, M Roknuzzaman, KK Ostrikov, GA Ayoko, C Yan
RSC advances 8 (5), 2271-2279, 2018
582018
First‐Principles Study of Superconducting ScRhP and ScIrP pnictides
MT Nasir, MA Hadi, MA Rayhan, MA Ali, MM Hossain, M Roknuzzaman, ...
physica status solidi (b) 254 (11), 1700336, 2017
552017
Zirconium metal-based MAX phases Zr2AC (A = Al, Si, P and S): A first-principles study
MT Nasir, MA Hadi, SH Naqib, F Parvin, A Islam, M Roknuzzaman, MS Ali
International Journal of Modern Physics B 28 (32), 1550022, 2014
542014
RbSnX 3 (X= Cl, Br, I): promising lead-free metal halide perovskites for photovoltaics and optoelectronics
MH Rahman, M Jubair, MZ Rahaman, MS Ahasan, KK Ostrikov, ...
RSC Advances 12 (12), 7497-7505, 2022
502022
First-principles study of elastic, electronic, optical and thermoelectric properties of newly synthesized K2Cu2GeS4 chalcogenide
MA Ali, MA Hossain, MA Rayhan, MM Hossain, MM Uddin, ...
Journal of Alloys and Compounds 781, 37-46, 2019
472019
Phenethylammonium bismuth halides: from single crystals to bulky-organic cation promoted thin-film deposition for potential optoelectronic applications
M Ghasemi, M Lyu, M Roknuzzaman, JH Yun, M Hao, D He, Y Bai, ...
Journal of Materials Chemistry A 7 (36), 20733-20741, 2019
462019
Structural, Elastic, and Electronic Properties of Recently Discovered Ternary Silicide Superconductor Li2IrSi3: An ab-initio Study
MA Hadi, MA Alam, M Roknuzzaman, MT Nasir, A Islam, SH Naqib
Chinese Physics B 24 (11), 117401, 2015
442015
New MAX Phase Superconductor Ti2GeC: A First-principles Study
MA Hadi, M Roknuzzaman, F Parvin, SH Naqib, A Islam, M Aftabuzzaman
Journal of Scientific Research 6 (1), 11-27, 2014
422014
Electronic, mechanical, optical and photocatalytic properties of perovskite RbSr2Nb3O10 compound
MNH Liton, M Roknuzzaman, MA Helal, M Kamruzzaman, A Islam, ...
Journal of Alloys and Compounds 867, 159077, 2021
412021
Structural, electronic and optical properties of lead-free antimony-copper based hybrid double perovskites for photovoltaics and optoelectronics by first principles calculations
M Roknuzzaman, JA Alarco, H Wang, KK Ostrikov
Computational Materials Science 186, 110009, 2021
402021
Ab Initio Investigation of Nitride in Comparison with Carbide Phase of Superconducting InX (X= C, N)
M Roknuzzaman, A Islam
ISRN Condensed Matter Physics 2013, 2013
40*2013
Structural, elastic, electronic and optical properties of , sulvanites — An ab initio study
MA Ali, M Roknuzzaman, MT Nasir, A Islam, SH Naqib
International Journal of Modern Physics B 30 (16), 1650089, 2016
342016
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