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All Journal Journal of Mathematical and Fundamental Sciences Journal of Engineering and Technological Sciences
Hermawan Kresno Dipojono
Jurusan Teknik Fisika, Institut Teknologi Bandung
Astronomy Chemistry Earth & Planetary Sciences Engineering Mathematics Physics

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Theoretical Study of Direct Carbon Dioxide Conversion to Formic Acid on Transition Metal-doped Subnanometer Palladium Clusters Adhitya Gandaryus Saputro; Arifin Luthfi Maulana; Fine Dwinita Aprilyanti; Hermawan Kresno Dipojono
Journal of Engineering and Technological Sciences Vol. 53 No. 4 (2021)
Publisher : Institute for Research and Community Services, Institut Teknologi Bandung

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.5614/j.eng.technol.sci.2021.53.4.2

Abstract

We studied the direct conversion of CO2 to HCOOH through hydrogenation reaction without the presence of base additives on the transition metal-doped subnanometer palladium (Pd7) cluster (PdxM: M = Cu, Ni, Rh) by using a combination of density functional theory and microkinetic calculations. It was shown that the CO2 hydrogenation on Pd7 and Pd6M clusters are more selective towards the formate pathway to produce HCOOH than the reverse water gas shift pathway to produce CO. Inclusion of Ni and Rh doping in the subnanometer Pd7 cluster could successfully enhance the turnover frequency (TOF) for CO2 hydrogenation to formic acid at low temperature. The order of TOF for formic acid formation is as follows: Pd6Ni > Pd6Rh > Pd7 > Pd6Cu. This order can be explained by the trend of the activation energy of CO2 hydrogenation to formate (HCOO*). The Pd6Ni cluster has the highest TOF value because it has the lowest activation energy for the formate formation reaction. The Pd6Ni system also has a superior TOF profile for HCOOH formation compared to several metal surfaces in low and high-temperature regions. This finding suggests that the subnanometer PdxNi cluster is a promising catalyst candidate for direct CO2 hydrogenation to formic acid.
On Non-Linear Finite State Digital Channel Coding Hermawan Kresno Dipojono
Journal of Mathematical and Fundamental Sciences Vol. 20 No. 1/2 (1987)
Publisher : Institute for Research and Community Services (LPPM) ITB

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Abstract. A discrete-time digital channel coding, in which the encoder and decoder are both time-invariant finite state machines, is investigated. The channel is assumed to be memoryless. Two measures of performance are considered: the probability of error and the minimum free distance. Greater emphasis is placed on the minimum free distance since it is easier to evaluate than the probability of error criterion, and for small channel crossover probability it is a very good indicator of system performance; it is defined as the Hamming distance between two possible output sequences that correspond to distinct state sequences of the same length that are identical at both the start and finish. An algorithm to calculate the distance between such possible output sequences was developed; it also identifies all such pain of output sequence. Another algorithm, based on the finite state machine properties of the encoder, was found to generate the finite state decoder. Finally, after having found the pairs of encoder-decoder finite state machines, we simulated the communication system. Sari. Suatu kode saluran digital dengan waktu tercacah yang mempunyai pasangan encoder-decoder berupa mesin berkeadaan terhingga dan invarian waktu akan diteliti. Saluran dianggap tanpa daya ingat. Digunakan dua buah ukuran kinerja yaitu probabilitas kesalahan dan jarak bebas minimum. Penggunaan jarak bebas minimum lebih ditekankan karena lebih mudah dievaluasi dibandingkan probabilitas kesalahan. Untuk probabilitas kesalahan saluran yang kecil, jarak itu merupakan indikator yang sangat baik bagi kinerja sistem; ia didefinisikan sebagai jarak Hamming minimum antara dua buah kemungkinan sekuen keluaran yang berupa sekuen keadaan yang unik dengan panjang dan keadaan yang sama, baik di awal maupun di akhir sekuen. Sebuah algoritma untuk menghitung jarak antara sekuen keluaran yang sedemikian itu telah pula dikembangkan; algoritma tersebut juga mampu mengidentifikasi semua pasangan sekuen keluaran itu. Sebuah algoritma lainnya, didasarkan pada sifat-sifat encoder sebagai mesin dengan keadaan berhingga, yang mampu menyusun decoder dengan keadaan berhingga, telah pula ditemukan. Akhirnya, setelah menemukan berbagai pasangan encoder-decoder yang berupa mesin dengan keadaan berhingga, sistem komunikasi digital disimulasikan.
Oxygen Reduction Reaction Mechanism on the Square Paddle-Wheel Cage Site of TM-BTC (TM=Mn, Fe, Cu) Metal-Organic Framework Ahmad Nuruddin; Adhitya Gandaryus Saputro; Syauqi Abdurrahman Abrori; Arifin Luthfi Maulana; Virgiawan Listanto Rahagung; Mohammad Kemal Agusta; Fadjar Fathurrahman; Amrina Mustaqim; Hermawan Kresno Dipojono
Journal of Mathematical and Fundamental Sciences Vol. 54 No. 2 (2022)
Publisher : Directorate for Research and Community Services (LPPM) ITB

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.5614/j.math.fund.sci.2022.54.2.2

Abstract

Our study examined the mechanism of oxygen reduction reactions (ORR) at the square paddle-wheel cage active site of TM-BTC metal-organic frameworks (MOFs), where TM is a transition metal, Mn, Fe, or Cu. We used a combination of density functional theory (DFT) and microkinetic calculations to investigate this mechanism. By using a small cluster for modeling the TM-BTC active site structure, we successfully reproduced the experimental trend of ORR activity in the TM-BTC systems: Mn-BTC > Fe-BTC > Cu-BTC. We also found that the unusual ORR activity trend in experiments for Mn and Fe systems originates from the strength of OH adsorption on these systems. The Mn-BTC system exhibits higher ORR activity than the Fe-BTC system due to its weaker adsorption of OH groups. A very strong OH adsorption makes the final OH reduction step sluggish, hence hindering the ORR process.
Co-Authors Adhitya Gandaryus Saputro Ahmad Nuruddin Amrina Mustaqim Arifin Luthfi Maulana Arifin Luthfi Maulana Fadjar Fathurrahman Fine Dwinita Aprilyanti Mohammad Kemal Agusta Syauqi Abdurrahman Abrori Virgiawan Listanto Rahagung