Select Publications
Preprints
, 2022, Multi-Interfacial Ni/Mo2c Ultrafine Hybrids Anchored on Nitrogen-Doped Carbon Nanosheets as a Highly Efficient Electrocatalyst for Water Splitting, http://dx.doi.org/10.2139/ssrn.4111426
, 2022, Scalable and Sustainable Ionic Liquid Supercapacitors with Engineered Nanocarbons, http://dx.doi.org/10.2139/ssrn.4310796
, 2022, Separation of Electric and Thermal Transport with In-Situ Precipitates Matrix in Ca 3Co 4O 9+δ, http://dx.doi.org/10.2139/ssrn.4198877
, 2021, Molybdenum-Cobalt Bimetallic Alloy Encapsulated in Nitrogen-Doped Carbon as a Highly Efficient Electrocatalyst for Water Splitting Reaction, http://dx.doi.org/10.2139/ssrn.3990804
, 2019, In-plane antiferromagnetism in $Na_{0.5}CoO_2$ induced by $Sb_{Co}$ dopants, http://dx.doi.org/10.48550/arxiv.1211.6167
, 2019, Magnetic, electrochemical and thermoelectric properties of $P2 - Na_x(Co_{7/8}Sb_{1/8})O_2$, http://dx.doi.org/10.48550/arxiv.1902.09760
, 2019, Selecting the suitable dopants: electronic structures of transition metal and rare earth doped thermoelectric sodium cobaltate, http://dx.doi.org/10.48550/arxiv.1206.5448
, 2016, Intrinsic Ferromagnetism in the Diluted Magnetic Semiconductor Co:TiO$_2$, http://dx.doi.org/10.48550/arxiv.1612.02235
, 2011, The electric field as a novel switch for uptake/release of hydrogen storage in nitrogen doped graphene, http://dx.doi.org/10.48550/arxiv.1111.5704
, 2010, Enhanced stability of hydrogen atoms at the graphene/graphane interface of nanoribbons, http://dx.doi.org/10.48550/arxiv.1011.4167
, 2009, Al doped graphene: A promising material for hydrogen storage at room temperature, http://dx.doi.org/10.48550/arxiv.0811.1856
, 2008, Enhancement of CO detection in Al doped graphene, http://dx.doi.org/10.48550/arxiv.0806.3172
, 2003, Nanoscale-SiC doping for enhancing Jc and Hc2 in the Superconducting MgB2, http://dx.doi.org/10.48550/arxiv.cond-mat/0308265
, Accounting for the Vibrational Contribution to the Configurational Entropy in Disordered Solids with Machine Learned Forcefields: A Case Study of Garnet Electrolyte Li7La3Zr2O12, http://dx.doi.org/10.26434/chemrxiv-2024-xbsdb
, Computational Material Database of Free-Standing 2D Perovskites, http://dx.doi.org/10.26434/chemrxiv-2022-7wqj3
, Large–Scale Computational Screening of Molecular Organic Semiconductors Using Crystal Structure Prediction, http://dx.doi.org/10.26434/chemrxiv.6143732.v2
, Large–Scale Computational Screening of Molecular Organic Semiconductors Using Crystal Structure Prediction, http://dx.doi.org/10.26434/chemrxiv.6143732.v1
, The Interplay among Molecular Structures, Crystal Symmetries and Lattice Energy Landscapes Revealed by Unsupervised Machine Learning: A Closer Look at Pyrrole Azaphenacenes, http://dx.doi.org/10.26434/chemrxiv.9037481.v1