2024
HC Sari, HH Putri, PWK Paksi, G Hidayat, SR Amelia, CDD Sundari, H Rachmawati, AL Ivansyah, F Muttaqien, F Iskandar “Theoretical Investigation of the Green-Synthesized Carbon-Based Nanomaterial Potential as Inhibitors of ACE2 for Blocking SARS-CoV-2 Binding” ACS Omega
LD Putri, SR Amelia, Y Rohmatulloh, Sanusi, P Listiani, Yo Ichikawa, M Honda, T Sudiarti, AL Ivansyah “Insight into the role of Mg/B and Mg/Cu dual dopant on the properties of ZnO nanoparticles prepared by facile one-step combustion route for photocatalytic and antibacterial application” Optical Materials, Volume 147, January 2024, 114586
AA Choir, SR Amelia, MA Martoprawiro, Y Kusumawati, AL Ivansyah “Insight into the adsorption properties of CO2 and H2 gas on the B12Y12 (YN, P, As, Sb) nanocages from host-guest interaction perspective” International Journal of Hydrogen Energy, Vol 53, 31 January 2024
FF Habibah, WOS Rizki, AL Ivansyah, DI Astuti, R Hertadi “Green synthesis of copper ions nanoparticles functionalized with rhamnolipid as potential antibacterial agent for pathogenic bacteria” Heliyon, Volume 10, Issue 1, 15 January 2024, e24242
2023
U Gunawan, S Ibrahim, AL Ivansyah, S Damayanti “Insights into the selective imprinted polymer of voriconazole from host-guest interaction perspective” Journal of Molecular Liquids 383, 122130
MA Irham, F Muttaqien, SZ Bisri, F Iskandar “Enhancing quantum capacitance of iron sulfide supercapacitor through defect-engineering: A first-principles calculation” Electrochimica Acta 449, 142235
W Mailisa, WD Annisa, FA Permatasari, R Amalia, AL Ivansyah, F Iskandar, H Rachmawati “In Vitro and Silico Studies on the N-Doped Carbon Dots Potential in ACE2 Expression Modulation” ACS omega 8 (11), 10077-10085
HC Sari, FA Mubarok, M Firdaus, IL Zulfa, A Fauzi, WONF Rajaelo, A Sulistyowati, AL Ivansyah, F Muttaqien “Computational molecular design to assist modification of single–walled carbon nanotubes with B, N, Al, Si, P, and S dopant atoms for Cl2 gas sensor application” Surface Science 731, 122264
FA Permatasari, R Umami, CDD Sundari, TR Mayangsari, AL Ivansyah, F Muttaqien, T Ogi, F Iskandar “New insight into pyrrolic-N site effect towards the first NIR window absorption of pyrrolic-N-rich carbon dots” Nano Research, 1-9
2022
“Density functional theory investigation on the interaction of F2 with (4,0) SWCNT and X-doped (4,0) SWCNT for gas sensor application (X = B, S, Si, N, and Al)”, Diamond and Related Materials, Volume 130, December 2022, 109463
NI Oktavianti, GR Anindika, AL Ivansyah, Y Kusumawati “Theoretical study of nickel-doped zinc oxide interaction with methylene blue and methyl orange using DFT methods” Materials Research Express 9 (12), 125505
FA Permatasari, R Umami, CDD Sundari, TR Mayangsari, AL Ivansyah, F Muttaqien T Ogi, F Iskandar “New insight into pyrrolic-N site effect towards the first NIR window absorption of pyrrolic-N-rich carbon dots” Nano Research, 1-9
BTI Ali, N Widiastuti, Y Kusumawati, AL Ivansyah, J Jaafar “Solvent selection in membrane preparation from polyethylene terephthalate plastic waste: computational and experimental study” Materials Research Express 9 (12), 125302
MF Akmal, D Wahyuningrum, AL Ivansyah “Theoretical insight and molecular recognition of oxatub [4] arene-based organic macrocycle as a supramolecular host for antipsychotic drug risperidone” Journal of Molecular Liquids 366, 120195
R Subagyo, LJ Diguna, AL Ivansyah, ME Witkowski, M Makowski “Scintillation properties of ((CH3) 4N) 3BiCl6 as a novel lead-free perovskite halide crystal” Materials Research Express 9 (9), 096202
IK Fitri, AL Ivansyah, R Hertadi “Potential Application of Rhamnolipid-Silica Nanoparticle Complex for Enhanced Oil Recovery Studied with Molecular DynamicsSimulations” Materials Science Forum 1061, 105-112
Y Kusumawati, AL Ivansyah, BTI Ali, KA Kurnia, AS Hutama, H Fansuri “Photophysical properties of ammonium, pyrrolidinium, piperidinium, imidazolium, and pyridinium as a guide to prepare ionic-organic hybrid materials” Heliyon 8 (3)
CDD Sundari, AL Ivansyah, O Floweri, IM Arcana, F Iskandar “Insights into the intermolecular interactions and temperature-concentration dependence of transport in ionic liquid-based EMI–TFSI/LiTFSI electrolytes” New Journal of Chemistry 46 (8), 3966-3977
H Juwono, AF Imron, NI Oktavianti, AL Ivansyah, Y Kusumawati “Study of methanol, triacetin, and acetic acid adsorption on ZnO and V-doped ZnO surface” Monatshefte für Chemie-Chemical Monthly 153 (1), 49-59
R Umami, FA Permatasari, DAM Muyassiroh, AS Santika, CDD Sundari, AL Ivansyah, T Ogi, F Iskandar “A rational design of carbon dots via the combination of nitrogen and oxygen functional groups towards the first NIR window absorption” Journal of Materials Chemistry C 10 (4), 1394-1402
2021
HH Halim, SEM Putra, F Muttaqien, I Hamada, K Inagaki, Y Hamamoto, Y Morikawa “Multi-scale Simulation of Equilibrium Step Fluctuations on Cu (111) Surfaces” ACS omega 6 (8), 5183-5196
M Sumanto, MA Martoprawiro, AL Ivansyah “The prediction of molecule atomization energy using neural network and extreme gradient boosting” Journal of Physics: Conference Series 2072 (1), 012005
AL Ivansyah “Theoretical investigation of interaction between hydroxypropyl-β-cyclodextrin and hydroxychloroquine” AIP Conference Proceedings 2349 (1)
AL Ivansyah “Computational investigation of interaction between β-cyclodextrin and hydroxychloroquine” AIP Conference Proceedings 2349 (1)
NI Oktavianti, GR Anindika, AL Ivansyah, H Juwono, Y Kusumawati “Computational study of methylene blue on nickel doped ZnO cluster” AIP Conference Proceedings 2349 (1)
GR Anindika, NI Oktavianti, AL Ivansyah, A Fadlan, Y Kusumawati “Alkali metal doped ZnO nanoclusters for methylene blue photodegradation: Computational studies” AIP Conference Proceedings 2349 (1)
AL Ivansyah “Computational modeling of inclusion complex between aromatic amine and calixarene analogs using Semiempiric Quantum Method (SQM)” Journal of Physics: Conference Series 1869 (1), 012056
SEM Putra, F Muttaqien, Y Hamamoto, K Inagaki, A Shiotari, J Yoshinobu, Y Morikawa, I Hamada “Theoretical study on adsorption and reaction of polymeric formic acid on the Cu (111) surface” Physical Review Materials 5 (7), 075801
JI Enriquez, F Muttaqien, M Michiuchi, K Inagaki, M Geshi, I Hamada, Y Morikawa “Oxidative etching mechanism of the diamond (100) surface” Carbon 174, 36-51
F Muttaqien, NAP Namari, SA Wella, TDK Wungu “CO2 adsorption on graphene supported Ni catalysts” Journal of Physics: Conference Series 1949 (1), 012003
MA Irham, F Muttaqien, SZ Bisri, F Iskandar “First-Principles Study of Vacancy Effect on Electronic and Magnetic Properties of Iron Sulfide (FeS)” JSAP Annual Meetings Extended Abstracts The 68th JSAP Spring Meeting 2021
S Sanusi, S Setiadji, ND Hakim, S Aziz, A Sawitri, H Aliah, E P Hadisantoso, A L Ivansyah and D G Syarif “The study of structural properties and photocatalytic activity of ZnO prepared by ultrasonic assisted precipitation method” Journal of Physics: Conference Series 1869 (1), 012013
R Hertadi, AL Ivansyah “Molecular docking simulation of interaction between insulin and silica nanoparticle” Journal of Physics: Conference Series 1869 (1), 012062
AL Ivansyah “Molecular docking study of inclusion complex between aromatic amine and Calixarene analogs” Journal of Physics: Conference Series 1869 (1), 012053
RM Putri, CDD Sundari, O Floweri, TR Mayangsari, AL Ivansyah, S P. Santosa, I M. Arcana, F Iskandar “PEO/PVA/LiOH solid polymer electrolyte prepared via ultrasound-assisted solution cast method” Journal of Non-Crystalline Solids 556, 120549
AW Nugraha, Z Muchtar, IS Jahro, A Sutiani, HA Nasution, AL Ivansyah “The Study of Stability and Structure of the Interaction Between β-Carotene Compounds with Methanol, Ethanol, Acetone, Chloroform, Carbon Tetrachloride, Cyclohexane, and N” Journal of Physics: Conference Series 1819 (1), 012055
T Sudiarti, NH Handayani, Y Rohmatulloh, SR Amelia, RM Yusuf, …
“Facile synthesis of ZnO nanoparticles for the photodegradation of rhodamine-B” Jurnal Kimia Sains dan Aplikasi 24 (6), 185-191
2020
JIG Enriquez, F Muttaqien, M Michiuchi, K Inagaki, M Geshi, I Hamada, Y Morikawa “First-Principles Study on Oxidative Etching of Diamond (100) Surface” JSAP Annual Meetings Extended Abstracts The 81st JSAP Autumn Meeting 2020
AL Ivansyah “Kajian Teoretis Interaksi Antarmolekul pada Kompleks Inklusi Hidroksipropil-β-Siklodekstrin dan Hidroksiklorokuin” al Kimiya: Jurnal Ilmu Kimia dan Terapan 7 (2), 95-102
AL Ivansyah “Investigasi Teoretis Interaksi Nonkovalen antara β-Siklodekstrin dan Hidroksiklorokuin” Akta Kimia Indonesia 5 (2), 127-140
2019
AL Ivansyah, ES Nurhidayah, CDD Sundari, MA Martoprawiro, B Buchari “Computational study of inclusion complex between Omeprazole enantiomer and β-Cyclodextrin: NBO and RDG analysis” Journal of Physics: Conference Series 1402 (5), 055068
SEM Putra, F Muttaqien, Y Hamamoto, K Inagaki, I Hamada, Y Morikawa “Van der Waals density functional study of formic acid adsorption and decomposition on Cu (111)” The Journal of Chemical Physics 150 (15)
S Setiadji, CDD Sundari, V Aprilia, E Sumiyanto, I Novianti, AL Ivansyah “Synthesis of zeolite NaX using elephant grass (pennisetum purpureum) as a silica source and its characterization” Journal of Physics: Conference Series 1402 (6), 066016
J Quan, F Muttaqien, T Kondo, T Kozarashi, T Mogi, T Imabayashi, Y Hamamoto, K Inagaki, I Hamada, Y Morikawa, J Nakamura “Vibration-driven reaction of CO2 on Cu surfaces via Eley–Rideal-type mechanism” Nature Chemistry 11 (8), 722-729
CDD Sundari, S Setiadji, A Andriani, E Sumiyanto, AL Ivansyah “Synthesis of silicalite-1 zeolite using silica from elephant grass (Pennisetum purpureum)” Journal of Physics: Conference Series 1402 (5), 055064
Y Kusumawati, AL Ivansyah, MA Martoprawiro, LW Oktavia, KA Madurani, …
“Computational Study of Structure and Photophysical Properties Relationship of Carbazoles with Four Anchoring Groups for DSSC: Consideration for Light Harvesting and Electron” Chiang Mai Journal of Science 46 (6), 1219-1228
Y Kusumawati, AL Ivansyah, MA Martoprawiro, LW Oktavia, KA Madurani, …
“Computational Study of Structure and Photophysical Properties Relationship of Carbazoles with Four Anchoring Groups for DSSC: Consideration for Light Harvesting and Electron” Chiang Mai Journal of Science 46 (6), 1219-1228
2018
TN Pham, M Sugiyama, F Muttaqien, SEM Putra, K Inagaki, DN Son, Y Hamamoto, I Hamada, Y Morikawa “Hydrogen Bond-Induced Nitric Oxide Dissociation on Cu (110)” The Journal of Physical Chemistry C 122 (22), 11814-11824
ZR Puteri, Y Kusumawati, AL Ivansyah, MA Martoprawiro “Computational study to determine redox potential of nitroxide radical and their derivatives compounds along with their analysis as redox-coupe in dye sensitized solar cell’s (DSSC)” AIP Conference Proceedings 2049 (1)
AT Apriliani, Y Kusumawati, AL Ivansyah, MA Martoprawiro “Computational study of electronic properties of carbazole derivatives compounds as sensitizer on dye-sensitized solar cells (DSSC)” AIP Conference Proceedings 2049 (1)
S Setiadji, BW Nuryadin, H Ramadhan, CDD Sundari, T Sudiarti, A Supriadin, AL Ivansyah “Preparation of reduced Graphene Oxide (rGO) assisted by microwave irradiation and hydrothermal for reduction methods” IOP Conference Series: Materials Science and Engineering 434 (1), 012079
S Setiadji, IS Nurazizah, CDD Sundari, W Darmalaksana, DF Nurbaeti, I Novianti, TBN Azizah, D Abdurrahman, AL Ivansyah “Synthesis of zeolite ZSM-11 using bamboo leaf as silica source” IOP Conference Series: Materials Science and Engineering 434 (1), 012084
S Setiadji, CDD Sundari, BW Nuryadin, H Zayyinunnisya, R Cahyandari, AL Ivansyah “Computational Study of Inclusion Complexes Between Omeprazole Enantiomer with Hydroxypropyl-β-Cyclodextrin” Journal of Physics: Conference Series 1090 (1), 012055
CDD Sundari, S Setiadji, BW Nuryadin, R Syafia, AF Huda, AL Ivansyah “Ab initio study on electronic structure of some imidazole derivatives and its correlation with corrosion inhibition properties” Journal of Physics: Conference Series 1090 (1), 012054
ES Nurhidayah, AL Ivansyah, MA Martoprawiro, MA Zulfikar “A Molecular docking study to predict enantioseparation of some chiral carboxylic acid derivatives by methyl-β-cyclodextrin” Journal of Physics: Conference Series 1013 (1), 012203
CDD Sundari, S Setiadji, MA Ramdhani, AL Ivansyah, NIT Widhiasari “Additional halogen group (F, Cl, and Br) to 2-Phenyl-imidazole [1, 2α] pyridine on corrosion inhibition properties: a computational study” IOP Conference Series: Materials Science and Engineering 288 (1), 012033
CDD Sundari, S Setiadji, Y Rohmatullah, S Sanusi, DF Nurbaeti, I Novianti, I Farida, A Nurohmah, AL Ivansyah “Synthesis of zeolite L using rice husk ash silica for adsorption of methylene blue: kinetic and adsorption isotherm” MATEC Web of Conferences 197, 05002
S Setiadji, CDD Sundari, E Lala, DF Nurbaeti, I Novianti, D Suhendar, W Darmalaksana, AL Ivansyah “The increased use value of bamboo leaves as silica source for t-type zeolite synthesis” MATEC Web of Conferences 197, 05003
2017
SA Wella, H Sawada, N Kawaguchi, F Muttaqien, K Inagaki, I Hamada, Y Morikawa, Y Hamamoto “Hybrid image potential states in molecular overlayers on graphene” Physical Review Materials 1 (6), 061001
GM Gunawan, D Suhendar, CDD Sundari, AL Ivansyah, S Setiadji, Y Rohmatulloh “Sintesis Zeolit Silikalit-1 Menggunakan Limbah Tongkol Jagung sebagai Sumber Silika” al Kimiya: Jurnal Ilmu Kimia dan Terapan 4 (2), 91-99
S Setiadji, AS Wahyuni, D Suhendar, CDD Sundari, AL Ivansyah “Pemanfaatan Rumput Gajah Sebagai Sumber Silika Untuk Sintesis Zeolit T” al Kimiya: Jurnal Ilmu Kimia dan Terapan 4 (2), 51-60
F Muttaqien, Y Hamamoto, I Hamada, K Inagaki, Y Shiozawa, K Mukai, T Koitaya, S Yoshimoto, J Yoshinobu, Y Morikawa “CO2 adsorption on the copper surfaces: van der Waals density functional and TPD studies” The Journal of Chemical Physics 147 (9)
T Koitaya, Y Shiozawa, Y Yoshikura, K Mukai, S Yoshimoto, S Torii, F Muttaqien, Y Hamamoto, K Inagaki, Y Morikawa, J Yoshinobu “Electronic states and growth modes of Zn atoms deposited on Cu (111) studied by XPS, UPS and DFT” Surface Science 663, 1-10
Y Kusumawati, J Massin, C Olivier, T Toupance, AL Ivansyah, MA Martoprawiro, B Prijamboedi, CL Radiman, Th Pauporte “Combined computational and experimental study of carbazole dyes for iodide-and cobalt-based ZnO DSSCs” Journal of Photochemistry and Photobiology A: Chemistry 341, 69-77
AL Ivansyah, MA Martoprawiro “Computational modeling of inclusion complex of r/s-omeprazole with β-cyclodextrin using oniom2 method” Journal of Physics: Conference Series 812 (1), 012070
CDD Sundari, MA Martoprawiro, AL Ivansyah “A DFT and TDDFT study of PCM effect on N3 dye absorption in ethanol solution” Journal of Physics: Conference Series 812 (1), 012068
F Muttaqien, H Oshima, Y Hamamoto, K Inagaki, I Hamada, Y Morikawa “Desorption dynamics of CO 2 from formate decomposition on Cu (111)” Chemical Communications 53 (66), 9222-9225
F Muttaqien, H Oshima, Y Hamamoto, K Inagaki, I Hamada, Y Morikawa “Energy Transfer Dynamics of Desorbed CO2 in Formate Decomposition on Cu (111)” 日本物理学会講演概要集 72.1, 2595-2595
2016
E Aprilia, F Muttaqien, A Purqon, S Suprijadi “The Effects of Atomic Substitutions (Bismuth, Gallium, Arsenic) on Electronic and Magnetic Properties of Carbon Nanotubes” Jurnal Matematika dan Sains 20 (1)
F Muttaqien, Y Hamamoto, H Kizaki, K Inagaki, Y Morikawa “21aAJ-5 Role of Subsurface Hydrogen in Formate Hydrogenation on Flat and Stepped Cu Surfaces” Meeting Abstracts of the Physical Society of Japan 71.1, 2596
SA Wella, N Kawaguchi, F Muttaqien, Y Hamamoto, K Inagaki, I Hamada, Y Morikawa
“22pAJ-3 Study of Naphthalene Adsorption on Graphene: van der Waals Density Functional Theory” Meeting Abstracts of the Physical Society of Japan 71.1, 2637
SA Wella, N Kawaguchi, H Sawada, F Muttaqien, Y Hamamoto, K Inagaki,I Hamada, Y Morikawa “First principles analysis of naphthalene on graphene at high coverage” 日本物理学会講演概要集 71.2, 2340-2340
2015
S Setiadji, AL Ivansyah, BI Akbar “Studi Komputasi Senyawa Dopamin dan Dopamin-Ti (OH) 2 untuk Aplikasi Sel Surya Tersensitasi Zat Warna” JURNAL ISTEK 9 (2)
F Muttaqien, S Suprijadi “Ab initio study of semiconductor atoms impurities in zigzag edge (10, 0) carbon nanotubes” AIP Conference Proceedings 1656 (1)
F Muttaqien, Y Hamamoto, H Kizaki, K Inagaki, Y Morikawa “21aAE-6 Complex Insight into CO_2 Dissociation on Copper Surfaces: Cu-O-Cu Chain Formation and H_2O Effects” Meeting Abstracts of the Physical Society of Japan 70.1, 2510
S Setiadji, AL Ivansyah, AB Pribadi “Studi Komputasi Senyawa Berbasis Anisil Indol dengan Senyawa Akseptor Asam Sianoakrilik sebagai Sensitizer Solar Sel Organik” al Kimiya: Jurnal Ilmu Kimia dan Terapan 2 (1), 41-45
M Hosni, Y Kusumawati, S Farhat, N Jouini, AL Ivansyah, …
“Ruthenium polypyridyl TG6 dye for the sensitization of nanoparticle and nanocrystallite spherical aggregate photoelectrodes” ACS Applied Materials & Interfaces 7 (3), 1568-1577
2014
F Muttaqien, Y Hamamoto, K Inagaki, Y Morikawa “Dissociative adsorption of CO2 on flat, stepped, and kinked Cu surfaces” The Journal of Chemical Physics 141 (3)
2013
A Setiadi, MS Alam, F Muttaqien, M Saito “Hydrogen adsorption in capped armchair edge (5, 5) carbon nanotubes” Japanese Journal of Applied Physics 52 (12R), 125105
M Shafiul Alam, F Muttaqien, A Setiadi, M Saito “First-principles calculations of hydrogen monomers and dimers adsorbed in graphene and carbon nanotubes” Journal of the Physical Society of Japan 82 (4), 044702
2012
MS Alam, F Muttaqien, A Satiadi, M Saito “20pPSA-69 First-Principles Calculations of Hydrogen Adsorbed in Carbon Nanomaterials” Meeting Abstracts of the Physical Society of Japan 67.2. 4, 845
MS Alam, F Muttaqien, A Setiadi, M Saito “26pPSB-62 First-Principles Calculations of Hydrogen Impurities in Nano-carbon Materials” Meeting Abstracts of the Physical Society of Japan 67.1. 4, 970