1. A first-principles study of Nb-doped NaAlH4 (001) surface. (March 2019) Authors: Yu, Suye; Li, Shina; Wan, Chubin; Ju, Xin Journal: Solid state communications Issue: Volume 290(2019) Page Start: 7 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. Experimental and theoretical investigations of electronic structure and optical in Ln3+-doped In2S3 nanoparticles. (15th September 2022) Authors: Li, Zhifang; He, Bintai; Yu, Suye; Qiao, Yuancun Journal: Solid state communications Issue: Volume 353(2022) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. First-principles study of transition metal (Ti, Nb)-doped NaAlH4. (9th February 2016) Authors: Yu, Suye; Ju, Xin; Wan, Chubin; Li, Shina Journal: International journal of hydrogen energy Issue: Volume 41:Number 5(2016) Page Start: 3517 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. Fullerene-impregnated IRMOFs for balanced gravimetric and volumetric H2 densities: A combined DFT and GCMC simulations study. (18th November 2021) Authors: Yu, Suye; Jing, Guoliang; Zhou, Xuehua; Li, Zhifang; Zhang, Wenqian; Ju, Xin Journal: International journal of hydrogen energy Issue: Volume 46:Number 80(2021) Page Start: 40294 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. Heterofullerene C48B12-impregnated MOF-5 and IRMOF-10 for hydrogen storage: A combined DFT and GCMC simulations study. (1st December 2022) Authors: Yu, Suye; Meng, Xianhe; Li, Zhifang; Zhang, Wenqian; Ju, Xin Journal: International journal of hydrogen energy Issue: Volume 47:Number 93(2022) Page Start: 39586 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. Mechanical properties of cubic Cu3N and Cu4N: A theoretical investigation. (September 2021) Authors: Li, Shina; Hao, Jingjing; Yu, Suye Journal: Vacuum Issue: Volume 191(2021) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. Nb-doped LiBH4 (010) surface for hydrogen desorption: First-principles calculations. (25th May 2015) Authors: Yu, Suye; Ju, Xin; Wan, Chubin; Li, Shina Journal: International journal of hydrogen energy Issue: Volume 40:Number 19(2015) Page Start: 6365 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
8. Nb-doped LiBH4 (010) surface for hydrogen desorption: First-principles calculations. (25th May 2015) Authors: Yu, Suye; Ju, Xin; Wan, Chubin; Li, Shina Journal: International journal of hydrogen energy Issue: Volume 40:Number 19(2015) Page Start: 6365 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
9. Structural, electronic, and elastic properties of orthorhombic NaB3H8: A first-principles investigation. (September 2019) Authors: Li, Shina; Quan, Hao; Yu, Suye Journal: Solid state communications Issue: Volume 299(2019) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
10. Synergistic effect of Li–Ti and K–Ti co-doping on the dehydrogenation properties of NaAlH4: an ab initio study. Issue 92 (20th September 2016) Authors: Yu, Suye; Li, Shina; Wan, Chubin; Ju, Xin Journal: RSC advances Issue: Volume 6:Issue 92(2016) Page Start: 89895 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗