Selain jadi tutor dan asisten Kimia Dasar, tujuan saya balik ke jogja adalah menyelesaikan beberapa paper hasil penelitian tim riset metaloporfirin. Ketika menulis paper saya sangat kesusahan bahkan paper pertama saat saya submit bisa dibilang "sampah", seperti yang dikatakan mas Umar : "Hukum Penulisan Esai Akademik: Draft pertama adalah sampah. *Itulah sebabnya kita perlu seminar, conference, peer review, dan semacamnya, agar bisa mengolah "sampah" jadi pupuk yg menyuburkan "tanaman"(baca: para pembaca) lewat paper dan artikel kita..." Bersyukur Juli 2016 kemarin paper kami sudah dipublish oleh American Institute Physics Publishing. Perlu 8 bulan untuk published mulai dari seminar, review, revisi dsb.
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Tampilkan postingan dengan label Artikel Sains. Tampilkan semua postingan
Selasa, 21 Februari 2017
Jumat, 22 Juli 2016
Design a Better Metalloporphyrin Semiconductor: A Theoretical Studies on the Effect of Substituents and Central Ions
Fadjar Mulya, Grisani A. Santoso, Hafiz A. Aziz, and Harno D. Pranowo
Austrian-Indonesian Centre for Computational Chemistry, Universitas Gadjah Mada,
Sekip Utara, Yogyakarta, 55281, Indonesia
Department of Chemistry, Faculty of Mathematic and Natural Sciences, Universitas Gadjah Mada,
Sekip Utara, Yogyakarta, 55281, Indonesia
corresponding author: fadjar.mulya@mail.ugm.ac.id
Abstract.
We have studied the effects on central metal and substituent group on the complex compounds metalloporphyrin as a semiconductor material. Cd2+, Hg2+, and Pt2+ were chosen as the central metal to see the effect of the elements on the nature of the group and the same period and reviewed the effect of substituent groups pull and push the electrons to the electronic properties of complex metalloporphyrin. The DFT/B3LYP/LANL2DZ and TD-DFT calculation were used to generate the optimized structure of, electronic and photophysical properties. The parameter is an Eg complex compound, DOS, and electronic absorption spectra. The calculations showed electron donating complexes tend to be better as a semiconductor because it lowers Eg complex compounds metalloporphyrin, NH2 group gave the smallest Eg compared to other groups.
Kamis, 24 Desember 2015
STUDY OF SUBSTITUENT EFFECT ON PROPERTIES OF PLATINUM(II) PORPHYRIN SEMICONDUCTOR USING DENSITY FUNCTIONAL THEORY (DFT) METHOD.
Abstract
Study of substituent effect on properties of platinum(II) porphyrin had been performed using DFT method. The aim of the study is to investigate the effect of the substituent group on the electronic and optical properties of the platinum(II) porphyrin. Based on optimized geometry semiconductor parameters such as Eg DOS and UV-Vis spectra were evaluated. Geometry optimization was conducted using DFT/ B3LYP/ LANL2DZ to obtain the molecular structure, electronic structure, and energy profile. Band gap (Eg), the density of state (DOS), and UV-Vis spectra is a parameter to study about properties of semiconductor complexes. Computational results show that platinum(II) porphyrin and substituted platinum(II) porphyrin have properties of a semiconductor. Pt(II)P-NH2 gives the best performance in terms of Eg, DOS and UV-Vis spectra, therefore it can be recommended as the new semiconductor material. Keywords: platinum(II) porphyrin, semiconductor, substituent effect
Senin, 12 Oktober 2015
Mengenal Senyawa Organologam : Senyawa Ajaib dan Peran Vitalnya dalam kehidupan
Crabtree dalam bukunya mengatakan; Chemist (ahli kimia) terus mencoba memahami bagaimana molekul organik dapat berinteraksi dengan senyawa unsur-unsur anorganik, terkhusus logam. Molekul organik bersama logam ketika bersenyawa mampu membentuk kompleks senyawa yang manfaatnya sangat besar dalam kehidupan terutama dalam bidang katalis [1]. Haemoglobin, Klorofil, Porfirin dan turunannya merupakan senyawa organologam yang banyak mengambil peran vital dalam tubuh manusia.
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