Pub Date : 2022-12-11DOI: 10.1109/ICEE56203.2022.10118213
Akhilesh Rawat, Anjali Goel, Brajesh Rawat
In this work, we propose a more accurate description of the interface trap in the MoS2 field-effect transistor using a quantum-mechanical modeling framework. Introducing an interface trap based on tight-binding parameter substitution at an atomic site is found to be a more effective way to include its effect on the device electrostatics and the carrier transport. Further, lower energy interface traps from conduction band are found to significantly impact the device performance, with severe degradation in subthreshold slope and ON-current. Our proposed model reveals that charge trapping in the interface trap causes substantial degradation in the drive current for high gate biases, whereas source-to-drain tunneling through trap limits the performance for low gate biases.
{"title":"Performance of Two-Dimensional MoS2 Field-Effect Transistor in the Presence of Oxide-Channel Imperfection","authors":"Akhilesh Rawat, Anjali Goel, Brajesh Rawat","doi":"10.1109/ICEE56203.2022.10118213","DOIUrl":"https://doi.org/10.1109/ICEE56203.2022.10118213","url":null,"abstract":"In this work, we propose a more accurate description of the interface trap in the MoS2 field-effect transistor using a quantum-mechanical modeling framework. Introducing an interface trap based on tight-binding parameter substitution at an atomic site is found to be a more effective way to include its effect on the device electrostatics and the carrier transport. Further, lower energy interface traps from conduction band are found to significantly impact the device performance, with severe degradation in subthreshold slope and ON-current. Our proposed model reveals that charge trapping in the interface trap causes substantial degradation in the drive current for high gate biases, whereas source-to-drain tunneling through trap limits the performance for low gate biases.","PeriodicalId":281727,"journal":{"name":"2022 IEEE International Conference on Emerging Electronics (ICEE)","volume":"29 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2022-12-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"134453702","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2022-12-11DOI: 10.1109/ICEE56203.2022.10117767
Abhijit Das, D. P. Samajdar
In this paper, we have investigated the effect of the Graphene Oxide (GO) interfacial layer (IL) inserted between the absorber layer and Electron Transport Layer (ETL) in lead (Pb)-free all inorganic CsGeI3-based perovskite solar cells (PSCs) using solar cell simulator capacitance software (SCAPS-ID). The performance parameters of the FTO/Ti02/GO/CsGeI3/P3HT PSC device structure have been studied thoroughly, by changing the thickness of the active layer and IL, bulk defect density with defect energy levels of the absorber layer, band gap variation of the Graphene Oxide thin film and the variation of shunt and series resistance. It has been found that the introduction of GO interlayer in the PSC improved the device efficiency by ~ 6%. This is mainly due to the passivation of trap states (i.e. reducing charge recombination and ion migration), efficient band alignment and improved charge injection at the Perovskite/ETL interface. We have reported an optimized power conversion efficiency (PCE) (%) value of 20.03% for the proposed device structure and observed a remarkable improvement in performance parameters.
{"title":"Simulation of CsGeI3-based perovskite solar cells using Graphene Oxide interfacial layer for improved device performance","authors":"Abhijit Das, D. P. Samajdar","doi":"10.1109/ICEE56203.2022.10117767","DOIUrl":"https://doi.org/10.1109/ICEE56203.2022.10117767","url":null,"abstract":"In this paper, we have investigated the effect of the Graphene Oxide (GO) interfacial layer (IL) inserted between the absorber layer and Electron Transport Layer (ETL) in lead (Pb)-free all inorganic CsGeI3-based perovskite solar cells (PSCs) using solar cell simulator capacitance software (SCAPS-ID). The performance parameters of the FTO/Ti02/GO/CsGeI3/P3HT PSC device structure have been studied thoroughly, by changing the thickness of the active layer and IL, bulk defect density with defect energy levels of the absorber layer, band gap variation of the Graphene Oxide thin film and the variation of shunt and series resistance. It has been found that the introduction of GO interlayer in the PSC improved the device efficiency by ~ 6%. This is mainly due to the passivation of trap states (i.e. reducing charge recombination and ion migration), efficient band alignment and improved charge injection at the Perovskite/ETL interface. We have reported an optimized power conversion efficiency (PCE) (%) value of 20.03% for the proposed device structure and observed a remarkable improvement in performance parameters.","PeriodicalId":281727,"journal":{"name":"2022 IEEE International Conference on Emerging Electronics (ICEE)","volume":"31 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2022-12-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"134102263","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2022-12-11DOI: 10.1109/ICEE56203.2022.10118273
Vikram Maharshi, A. Agarwal, Bhaskar Mitra
A cost-effective, flexible tactile sensor with a PDMS (polydimethylsiloxane) layer with a nanostructure pattern serving as the dielectric layer has been demonstrated. The creation of the PDMS layer with a nanostructure design uses an anodized porous alumina (APA) layer as a mold. The APA is created by electrochemically etching the aluminum material in oxalic acid. Due to the great elasticity and deformability of the nanostructures on the PDMS layer, the created tactile sensor device demonstrated remarkable sensitivity. For a pressure of 0.1 kPa, the tactile sensing device was shown to have a sensitivity of 1.1 kPa-1. The sensor can find applications in tactile sensing in low-pressure ranges (0-0.3kPa), where soft touch is desirable for non-destructive sensing.
{"title":"A Novel Technique To Realize a Flexible Tactile Sensor","authors":"Vikram Maharshi, A. Agarwal, Bhaskar Mitra","doi":"10.1109/ICEE56203.2022.10118273","DOIUrl":"https://doi.org/10.1109/ICEE56203.2022.10118273","url":null,"abstract":"A cost-effective, flexible tactile sensor with a PDMS (polydimethylsiloxane) layer with a nanostructure pattern serving as the dielectric layer has been demonstrated. The creation of the PDMS layer with a nanostructure design uses an anodized porous alumina (APA) layer as a mold. The APA is created by electrochemically etching the aluminum material in oxalic acid. Due to the great elasticity and deformability of the nanostructures on the PDMS layer, the created tactile sensor device demonstrated remarkable sensitivity. For a pressure of 0.1 kPa, the tactile sensing device was shown to have a sensitivity of 1.1 kPa-1. The sensor can find applications in tactile sensing in low-pressure ranges (0-0.3kPa), where soft touch is desirable for non-destructive sensing.","PeriodicalId":281727,"journal":{"name":"2022 IEEE International Conference on Emerging Electronics (ICEE)","volume":"177 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2022-12-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"133721039","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2022-12-11DOI: 10.1109/ICEE56203.2022.10117864
Mohammad Abdul Shukoor, Tejas Shibu Bini, Nissan Kunju, Sukomal Dey
A novel multiband dual-polarized reflective polarizer is demonstrated in this article, which performs dual-operation like linear-cross and linear-circular conversions in the THz regime. The unitcell consists of a thin gold film coated modified circular rings-based Frequency Selective Surface (FSS) on top of a polyamide substrate grounded with a gold film to make the reflective design. Under normal incidence, the design performs the linear-cross conversion from 0.62-0.65 THz, 0.98-1.10 THz, and 1.74-1.80 THz, with a 90% minimum Polarization Conversion Ratio (PCR), respectively. In addition, it also demonstrates linear to circular conversion with Axial Ratio (= 3dB) from 0.58-0.59 THz, 0.69-0.90 THz, 1.18-1.67 THz, and 1.87-1.90THz. Multiple plasmonic resonances are the reason behind these conversions, which are visualized with surface current distribution analysis. The device performance is stable for Transverse Electric (TE) and Transverse Magnetic (TM) incidences up to 45°. The proposed converter's dual-polarized linear-cross and linear-circular conversion influence real-time THz applications significantly.
{"title":"Wideband Linear-Circular and Linear-Cross Angular Stable THz Reflective Polarizer with Circular Ring Based Frequency Selective Surface","authors":"Mohammad Abdul Shukoor, Tejas Shibu Bini, Nissan Kunju, Sukomal Dey","doi":"10.1109/ICEE56203.2022.10117864","DOIUrl":"https://doi.org/10.1109/ICEE56203.2022.10117864","url":null,"abstract":"A novel multiband dual-polarized reflective polarizer is demonstrated in this article, which performs dual-operation like linear-cross and linear-circular conversions in the THz regime. The unitcell consists of a thin gold film coated modified circular rings-based Frequency Selective Surface (FSS) on top of a polyamide substrate grounded with a gold film to make the reflective design. Under normal incidence, the design performs the linear-cross conversion from 0.62-0.65 THz, 0.98-1.10 THz, and 1.74-1.80 THz, with a 90% minimum Polarization Conversion Ratio (PCR), respectively. In addition, it also demonstrates linear to circular conversion with Axial Ratio (= 3dB) from 0.58-0.59 THz, 0.69-0.90 THz, 1.18-1.67 THz, and 1.87-1.90THz. Multiple plasmonic resonances are the reason behind these conversions, which are visualized with surface current distribution analysis. The device performance is stable for Transverse Electric (TE) and Transverse Magnetic (TM) incidences up to 45°. The proposed converter's dual-polarized linear-cross and linear-circular conversion influence real-time THz applications significantly.","PeriodicalId":281727,"journal":{"name":"2022 IEEE International Conference on Emerging Electronics (ICEE)","volume":"44 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2022-12-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"121918624","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2022-12-11DOI: 10.1109/ICEE56203.2022.10118049
Ishita Bansal, S. K. Roy, K. Basu, P. Sen
Imaging of microparticles or biological entities inside microchannels provide informative data, given that the image quality is good and at par with the speed of the moving object. High-speed camera has been a boon for decades to capture fast moving objects, both in macro as well as micro world. This work reports a flash imaging system developed to image moving particles, thereby removing the need of conventional high-speed camera systems.
{"title":"Flash imaging for microfluidics","authors":"Ishita Bansal, S. K. Roy, K. Basu, P. Sen","doi":"10.1109/ICEE56203.2022.10118049","DOIUrl":"https://doi.org/10.1109/ICEE56203.2022.10118049","url":null,"abstract":"Imaging of microparticles or biological entities inside microchannels provide informative data, given that the image quality is good and at par with the speed of the moving object. High-speed camera has been a boon for decades to capture fast moving objects, both in macro as well as micro world. This work reports a flash imaging system developed to image moving particles, thereby removing the need of conventional high-speed camera systems.","PeriodicalId":281727,"journal":{"name":"2022 IEEE International Conference on Emerging Electronics (ICEE)","volume":"6 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2022-12-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"115096644","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2022-12-11DOI: 10.1109/ICEE56203.2022.10117754
Divya Dubey, M. Goswami, Kavindra Kandpal
This work presents a 5T −2C pixel circuit based on amorphous indium gallium zinc oxide (a-IGZO) thin film transistors (TFTs) for flexible displays utilizing improved stacked voltage-programmed pixel circuit topology. Due to a low operating voltage of 5 V and reduced programming time of 8 $mumathrm{s}$, the proposed circuit finds its application in large screen HD displays as it can provide a very high frame rate of 120 Hz. Moreover, a good compensation ability of the proposed circuit against the threshold voltage variations of the driving TFT in the range of −0.2 volts to 2 volts from the nominal voltage of 0.7 volts, makes it suitable for flexible AMOLED displays. The error in organic light emitting diode (OLE D) current is within 0.4% over the range of data voltage (3.8 V to 6 V) when the substrate is subjected to both compressive and tensile strains of $pm 0.3$ % and within 10% due to threshold voltage variations under electrical stress. The adapted SPICE level-3 flexible TFT model efficiently captures the variations in threshold voltage due to mechanical as well as electrical stress. As a result, the proposed 5$T$2C pixel circuit reveals good performance for applications in low-voltage flexible displays.
{"title":"Design of a Low-Voltage and Reduced Programming cycle AMOLED Pixel Circuit using IGZO TFTs","authors":"Divya Dubey, M. Goswami, Kavindra Kandpal","doi":"10.1109/ICEE56203.2022.10117754","DOIUrl":"https://doi.org/10.1109/ICEE56203.2022.10117754","url":null,"abstract":"This work presents a 5T −2C pixel circuit based on amorphous indium gallium zinc oxide (a-IGZO) thin film transistors (TFTs) for flexible displays utilizing improved stacked voltage-programmed pixel circuit topology. Due to a low operating voltage of 5 V and reduced programming time of 8 $mumathrm{s}$, the proposed circuit finds its application in large screen HD displays as it can provide a very high frame rate of 120 Hz. Moreover, a good compensation ability of the proposed circuit against the threshold voltage variations of the driving TFT in the range of −0.2 volts to 2 volts from the nominal voltage of 0.7 volts, makes it suitable for flexible AMOLED displays. The error in organic light emitting diode (OLE D) current is within 0.4% over the range of data voltage (3.8 V to 6 V) when the substrate is subjected to both compressive and tensile strains of $pm 0.3$ % and within 10% due to threshold voltage variations under electrical stress. The adapted SPICE level-3 flexible TFT model efficiently captures the variations in threshold voltage due to mechanical as well as electrical stress. As a result, the proposed 5$T$2C pixel circuit reveals good performance for applications in low-voltage flexible displays.","PeriodicalId":281727,"journal":{"name":"2022 IEEE International Conference on Emerging Electronics (ICEE)","volume":"42 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2022-12-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"115636689","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2022-12-11DOI: 10.1109/ICEE56203.2022.10118330
K. Prabakar, O. Sheela, Raghu Ramaiah M, S. T. Sundari, S. Dhara
Positive - intrinsic - Negative (PIN) photodiodes have been widely studied in recent times for detecting and measuring different types of ionizing radiations owing to their superior characteristics when compared to conventional gas-filled or scintillator based detectors. PIN diodes are also explored for detecting neutrons with a suitable converter layer (10B or 6LiF). PIN diode energy resolution is influenced by various experimental conditions and is not completely understood. In the present work, role of diode leakage current, applied reverse bias, alpha source-detector distance, diode size and gamma radiation on the PIN diode performance in terms of energy resolution (FWHM) when exposed to alpha radiation (239Pu, 241Am,244Cm) is studied. The results presented in this work will be useful while considering the PIN diodes for various radiation sensing applications.
{"title":"Alpha radiation detection using Si PIN diodes","authors":"K. Prabakar, O. Sheela, Raghu Ramaiah M, S. T. Sundari, S. Dhara","doi":"10.1109/ICEE56203.2022.10118330","DOIUrl":"https://doi.org/10.1109/ICEE56203.2022.10118330","url":null,"abstract":"Positive - intrinsic - Negative (PIN) photodiodes have been widely studied in recent times for detecting and measuring different types of ionizing radiations owing to their superior characteristics when compared to conventional gas-filled or scintillator based detectors. PIN diodes are also explored for detecting neutrons with a suitable converter layer (10B or 6LiF). PIN diode energy resolution is influenced by various experimental conditions and is not completely understood. In the present work, role of diode leakage current, applied reverse bias, alpha source-detector distance, diode size and gamma radiation on the PIN diode performance in terms of energy resolution (FWHM) when exposed to alpha radiation (239Pu, 241Am,244Cm) is studied. The results presented in this work will be useful while considering the PIN diodes for various radiation sensing applications.","PeriodicalId":281727,"journal":{"name":"2022 IEEE International Conference on Emerging Electronics (ICEE)","volume":"106 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2022-12-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"116016635","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2022-12-11DOI: 10.1109/ICEE56203.2022.10118324
Riddhi Nandi, M. Rakowski, Avijit Chatterjee, Aneesh Dash, A. Aboketaf, Qidi Liu, Prateek Kumar Sharma
A microring-assisted Mach-Zehnder interferometer has been studied. The structure demonstrates better extinction ratio, eye opening and bandwidth than a single microring modulator. The extinction of the ring-assisted Mach-Zehnder interferometer can be further tailored by controlling the amount of light coupled to each of the interferometer arms. A 7 dB improvement in the extinction ratio over that of a standalone micro-ring device is observed for a 7.54 µm ring radius when operated in over-coupled regime at around 1310 nm wavelength.
{"title":"Study of Ring-Assisted Mach-Zehnder Interferometer Modulators","authors":"Riddhi Nandi, M. Rakowski, Avijit Chatterjee, Aneesh Dash, A. Aboketaf, Qidi Liu, Prateek Kumar Sharma","doi":"10.1109/ICEE56203.2022.10118324","DOIUrl":"https://doi.org/10.1109/ICEE56203.2022.10118324","url":null,"abstract":"A microring-assisted Mach-Zehnder interferometer has been studied. The structure demonstrates better extinction ratio, eye opening and bandwidth than a single microring modulator. The extinction of the ring-assisted Mach-Zehnder interferometer can be further tailored by controlling the amount of light coupled to each of the interferometer arms. A 7 dB improvement in the extinction ratio over that of a standalone micro-ring device is observed for a 7.54 µm ring radius when operated in over-coupled regime at around 1310 nm wavelength.","PeriodicalId":281727,"journal":{"name":"2022 IEEE International Conference on Emerging Electronics (ICEE)","volume":"64 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2022-12-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"116197331","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2022-12-11DOI: 10.1109/ICEE56203.2022.10118050
Athul O. Asok, Mohammad Abdul Shukoor, Sukomal Dey
This work introduces a miniaturized monopole antenna based on metamaterials for breast cancer detection. The proposed antenna is designed on a low-cost FR4 substrate with a dielectric constant of 4.4, loss tangent 0.025 and thickness of 1.6 mm. For gain enhancement, the designed antenna is equipped with a frequency selective surface (FSS) on its back side. The suggested antenna obtains a broad bandwidth (S11> 10 dB) between 3.4 and 9 GHz, with a peak gain of 6.2 dBi at 5 GHz. The proposed work also achieves a maximum gain enhancement of 4.7 dBi with the addition of FSS at the back side of the antenna. The Specific absorption Rate (SAR) study of the antenna with a realistic hemispherical breast phantom modelled in the simulator is performed to assess the impact of radiation on the human breast. It is observed that the proposed antenna complies with the International limits when averaged over 10g of tissue.
{"title":"Breast Cancer Detection with Metamerial Enabled Monopole Antennas using Microwave Imaging","authors":"Athul O. Asok, Mohammad Abdul Shukoor, Sukomal Dey","doi":"10.1109/ICEE56203.2022.10118050","DOIUrl":"https://doi.org/10.1109/ICEE56203.2022.10118050","url":null,"abstract":"This work introduces a miniaturized monopole antenna based on metamaterials for breast cancer detection. The proposed antenna is designed on a low-cost FR4 substrate with a dielectric constant of 4.4, loss tangent 0.025 and thickness of 1.6 mm. For gain enhancement, the designed antenna is equipped with a frequency selective surface (FSS) on its back side. The suggested antenna obtains a broad bandwidth (S11> 10 dB) between 3.4 and 9 GHz, with a peak gain of 6.2 dBi at 5 GHz. The proposed work also achieves a maximum gain enhancement of 4.7 dBi with the addition of FSS at the back side of the antenna. The Specific absorption Rate (SAR) study of the antenna with a realistic hemispherical breast phantom modelled in the simulator is performed to assess the impact of radiation on the human breast. It is observed that the proposed antenna complies with the International limits when averaged over 10g of tissue.","PeriodicalId":281727,"journal":{"name":"2022 IEEE International Conference on Emerging Electronics (ICEE)","volume":"3 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2022-12-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"116819454","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2022-12-11DOI: 10.1109/ICEE56203.2022.10118202
K. Yadav, N. Ray
We use first-principles Density Functional Theory (DFT) to investigate the hydrogen adsorption on and diffusion through a metallic monolayer of Aluminum, also referred to as Aluminene. The lowest energy structure is a buckled honeycomb lattice, and the electronic band structure reveals the metallic nature of this monolayer. We establish the dynamical stability of free-standing buckled Aluminene using phonon dispersion, which shows no instabilities. We show that the hydrogen atom prefers to adsorb at the centre of the honeycomb ring, or the H -site. A small stabilizing effect (~0.00 e V) is observed with slight off-centering and bond tilting. The monolayer can block the diffusion of hydrogen molecule from one side to the other with a weak energy barrier (0.68 e V). However, the atom encounters two barriers of same height separated by a metastable state. The Aluminum monolayer may thus find applications in hydrogen storage as well as sensors to detect hydrogen,
我们使用第一性原理密度泛函理论(DFT)来研究氢在金属单层铝(也称为铝烯)上的吸附和扩散。能量最低的结构是一个弯曲的蜂窝晶格，电子能带结构揭示了这种单层的金属性质。利用声子色散建立了独立屈曲铝烯的动力学稳定性，证明其不存在不稳定性。我们发现氢原子更倾向于吸附在蜂窝环的中心或H位。在轻微偏离中心和键倾斜的情况下，观察到一个小的稳定效应(~0.00 e V)。单分子层可以用弱能垒(0.68 e V)阻止氢分子从一侧向另一侧扩散，但原子会遇到两个以亚稳态分隔的相同高度的能垒。因此，铝单分子层可能会在储氢和检测氢的传感器中找到应用，
{"title":"Hydrogen Adsorption on Two Dimensional Aluminene","authors":"K. Yadav, N. Ray","doi":"10.1109/ICEE56203.2022.10118202","DOIUrl":"https://doi.org/10.1109/ICEE56203.2022.10118202","url":null,"abstract":"We use first-principles Density Functional Theory (DFT) to investigate the hydrogen adsorption on and diffusion through a metallic monolayer of Aluminum, also referred to as Aluminene. The lowest energy structure is a buckled honeycomb lattice, and the electronic band structure reveals the metallic nature of this monolayer. We establish the dynamical stability of free-standing buckled Aluminene using phonon dispersion, which shows no instabilities. We show that the hydrogen atom prefers to adsorb at the centre of the honeycomb ring, or the H -site. A small stabilizing effect (~0.00 e V) is observed with slight off-centering and bond tilting. The monolayer can block the diffusion of hydrogen molecule from one side to the other with a weak energy barrier (0.68 e V). However, the atom encounters two barriers of same height separated by a metastable state. The Aluminum monolayer may thus find applications in hydrogen storage as well as sensors to detect hydrogen,","PeriodicalId":281727,"journal":{"name":"2022 IEEE International Conference on Emerging Electronics (ICEE)","volume":"98 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2022-12-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"123326745","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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